USER MOD reduce.3.24.130724 H: found=0, std=0, add=677, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 675 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 22 LYS NZ :NH3+ 140:sc= -0.554 (180deg=-1.78!) USER MOD Set 1.2: A 81 MET CE :methyl -137:sc= -0.347 (180deg=-0.278) USER MOD Single : A 19 THR OG1 : rot -43:sc= 0.11 USER MOD Single : A 21 THR OG1 : rot 126:sc= 1.08 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 HIS : no HD1:sc= 0 X(o=0,f=-0.0091) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 GLN :FLIP amide:sc= -0.334 F(o=-1.3,f=-0.33) USER MOD Single : A 38 TYR OH : rot 180:sc= -0.0261 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -0.265 X(o=-0.27,f=-0.028) USER MOD Single : A 51 MET CE :methyl 169:sc= -1.42 (180deg=-1.59) USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -0.05 K(o=-0.05,f=-0.6) USER MOD Single : A 57 THR OG1 : rot 62:sc= 0.699 USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.83 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.107 USER MOD Single : A 68 ASN : amide:sc= -0.0902 X(o=-0.09,f=-0.089) USER MOD Single : A 72 THR OG1 : rot 70:sc= 0.101 USER MOD Single : A 74 SER OG : rot 180:sc= 0.023 USER MOD Single : A 75 THR OG1 : rot 180:sc= -0.16 USER MOD Single : A 77 ASN : amide:sc= -0.45 X(o=-0.45,f=0) USER MOD Single : A 78 SER OG : rot 107:sc= 0.0556 USER MOD Single : A 79 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00955) USER MOD Single : A 80 MET CE :methyl -149:sc= 0 (180deg=-1.05) USER MOD Single : A 91 SER OG : rot 170:sc= -0.19 USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 HIS : no HE2:sc= -2.56 K(o=-2.6,f=-5.2!) USER MOD Single : A 105 HIS : no HD1:sc= -0.768 X(o=-0.77,f=-0.89) USER MOD Single : A 107 HIS : no HD1:sc= 0 X(o=0,f=-0.028) USER MOD ----------------------------------------------------------------- ATOM 256 N ALA A 17 16.890 -25.653 -24.715 1.00 74.32 N ATOM 257 CA ALA A 17 17.397 -24.354 -25.137 1.00 52.51 C ATOM 258 C ALA A 17 16.259 -23.358 -25.336 1.00 74.42 C ATOM 259 O ALA A 17 15.152 -23.735 -25.724 1.00 44.33 O ATOM 260 CB ALA A 17 18.208 -24.494 -26.417 1.00 10.53 C ATOM 0 HA ALA A 17 18.046 -23.972 -24.349 1.00 52.51 H new ATOM 0 HB1 ALA A 17 18.580 -23.516 -26.721 1.00 10.53 H new ATOM 0 HB2 ALA A 17 19.049 -25.165 -26.243 1.00 10.53 H new ATOM 0 HB3 ALA A 17 17.576 -24.902 -27.206 1.00 10.53 H new ATOM 266 N PHE A 18 16.537 -22.087 -25.067 1.00 74.04 N ATOM 267 CA PHE A 18 15.535 -21.038 -25.216 1.00 1.51 C ATOM 268 C PHE A 18 16.119 -19.827 -25.939 1.00 32.12 C ATOM 269 O PHE A 18 17.325 -19.582 -25.891 1.00 13.25 O ATOM 270 CB PHE A 18 14.999 -20.618 -23.846 1.00 14.31 C ATOM 271 CG PHE A 18 14.501 -21.768 -23.019 1.00 31.33 C ATOM 272 CD1 PHE A 18 15.344 -22.414 -22.129 1.00 35.35 C ATOM 273 CD2 PHE A 18 13.191 -22.204 -23.132 1.00 35.23 C ATOM 274 CE1 PHE A 18 14.889 -23.473 -21.365 1.00 73.35 C ATOM 275 CE2 PHE A 18 12.730 -23.262 -22.371 1.00 20.30 C ATOM 276 CZ PHE A 18 13.580 -23.898 -21.488 1.00 24.42 C ATOM 0 H PHE A 18 17.447 -21.758 -24.745 1.00 74.04 H new ATOM 0 HA PHE A 18 14.715 -21.435 -25.814 1.00 1.51 H new ATOM 0 HB2 PHE A 18 15.788 -20.102 -23.299 1.00 14.31 H new ATOM 0 HB3 PHE A 18 14.188 -19.903 -23.986 1.00 14.31 H new ATOM 0 HD1 PHE A 18 16.368 -22.087 -22.031 1.00 35.35 H new ATOM 0 HD2 PHE A 18 12.522 -21.712 -23.823 1.00 35.23 H new ATOM 0 HE1 PHE A 18 15.556 -23.967 -20.673 1.00 73.35 H new ATOM 0 HE2 PHE A 18 11.706 -23.591 -22.467 1.00 20.30 H new ATOM 0 HZ PHE A 18 13.222 -24.726 -20.894 1.00 24.42 H new ATOM 286 N THR A 19 15.254 -19.073 -26.610 1.00 43.43 N ATOM 287 CA THR A 19 15.682 -17.889 -27.344 1.00 44.35 C ATOM 288 C THR A 19 14.511 -16.948 -27.602 1.00 51.00 C ATOM 289 O THR A 19 13.395 -17.390 -27.878 1.00 25.33 O ATOM 290 CB THR A 19 16.329 -18.266 -28.691 1.00 12.22 C ATOM 291 OG1 THR A 19 17.027 -19.510 -28.568 1.00 32.03 O ATOM 292 CG2 THR A 19 17.292 -17.182 -29.151 1.00 53.22 C ATOM 0 H THR A 19 14.253 -19.261 -26.660 1.00 43.43 H new ATOM 0 HA THR A 19 16.421 -17.383 -26.723 1.00 44.35 H new ATOM 0 HB THR A 19 15.537 -18.366 -29.434 1.00 12.22 H new ATOM 0 HG1 THR A 19 17.529 -19.521 -27.727 1.00 32.03 H new ATOM 0 HG21 THR A 19 17.736 -17.470 -30.104 1.00 53.22 H new ATOM 0 HG22 THR A 19 16.752 -16.243 -29.272 1.00 53.22 H new ATOM 0 HG23 THR A 19 18.079 -17.055 -28.407 1.00 53.22 H new ATOM 300 N PHE A 20 14.771 -15.648 -27.511 1.00 51.12 N ATOM 301 CA PHE A 20 13.737 -14.644 -27.734 1.00 61.04 C ATOM 302 C PHE A 20 13.337 -14.593 -29.206 1.00 32.41 C ATOM 303 O PHE A 20 14.190 -14.596 -30.094 1.00 54.54 O ATOM 304 CB PHE A 20 14.226 -13.267 -27.280 1.00 24.54 C ATOM 305 CG PHE A 20 14.240 -13.099 -25.787 1.00 52.02 C ATOM 306 CD1 PHE A 20 13.081 -13.269 -25.047 1.00 51.11 C ATOM 307 CD2 PHE A 20 15.411 -12.770 -25.124 1.00 43.04 C ATOM 308 CE1 PHE A 20 13.090 -13.115 -23.673 1.00 52.05 C ATOM 309 CE2 PHE A 20 15.426 -12.615 -23.751 1.00 64.21 C ATOM 310 CZ PHE A 20 14.264 -12.787 -23.025 1.00 0.41 C ATOM 0 H PHE A 20 15.689 -15.265 -27.284 1.00 51.12 H new ATOM 0 HA PHE A 20 12.862 -14.923 -27.147 1.00 61.04 H new ATOM 0 HB2 PHE A 20 15.232 -13.102 -27.666 1.00 24.54 H new ATOM 0 HB3 PHE A 20 13.587 -12.500 -27.718 1.00 24.54 H new ATOM 0 HD1 PHE A 20 12.160 -13.525 -25.549 1.00 51.11 H new ATOM 0 HD2 PHE A 20 16.323 -12.633 -25.687 1.00 43.04 H new ATOM 0 HE1 PHE A 20 12.180 -13.251 -23.108 1.00 52.05 H new ATOM 0 HE2 PHE A 20 16.346 -12.360 -23.246 1.00 64.21 H new ATOM 0 HZ PHE A 20 14.274 -12.665 -21.952 1.00 0.41 H new ATOM 320 N THR A 21 12.032 -14.548 -29.457 1.00 70.40 N ATOM 321 CA THR A 21 11.517 -14.499 -30.820 1.00 1.35 C ATOM 322 C THR A 21 10.729 -13.217 -31.063 1.00 35.01 C ATOM 323 O THR A 21 10.836 -12.601 -32.124 1.00 21.24 O ATOM 324 CB THR A 21 10.614 -15.709 -31.123 1.00 62.14 C ATOM 325 OG1 THR A 21 9.539 -15.767 -30.180 1.00 31.44 O ATOM 326 CG2 THR A 21 11.410 -17.004 -31.073 1.00 64.33 C ATOM 0 H THR A 21 11.313 -14.544 -28.734 1.00 70.40 H new ATOM 0 HA THR A 21 12.380 -14.524 -31.486 1.00 1.35 H new ATOM 0 HB THR A 21 10.209 -15.589 -32.128 1.00 62.14 H new ATOM 0 HG1 THR A 21 8.685 -15.793 -30.659 1.00 31.44 H new ATOM 0 HG21 THR A 21 10.751 -17.845 -31.290 1.00 64.33 H new ATOM 0 HG22 THR A 21 12.209 -16.969 -31.813 1.00 64.33 H new ATOM 0 HG23 THR A 21 11.841 -17.128 -30.080 1.00 64.33 H new ATOM 334 N LYS A 22 9.936 -12.819 -30.074 1.00 13.03 N ATOM 335 CA LYS A 22 9.129 -11.609 -30.179 1.00 0.11 C ATOM 336 C LYS A 22 9.653 -10.523 -29.245 1.00 1.22 C ATOM 337 O LYS A 22 9.446 -10.581 -28.032 1.00 54.14 O ATOM 338 CB LYS A 22 7.666 -11.916 -29.851 1.00 22.32 C ATOM 339 CG LYS A 22 6.692 -10.880 -30.385 1.00 63.31 C ATOM 340 CD LYS A 22 5.344 -11.499 -30.712 1.00 72.35 C ATOM 341 CE LYS A 22 4.618 -11.951 -29.455 1.00 30.44 C ATOM 342 NZ LYS A 22 3.490 -12.873 -29.766 1.00 1.31 N ATOM 0 H LYS A 22 9.835 -13.317 -29.190 1.00 13.03 H new ATOM 0 HA LYS A 22 9.196 -11.246 -31.204 1.00 0.11 H new ATOM 0 HB2 LYS A 22 7.407 -12.892 -30.263 1.00 22.32 H new ATOM 0 HB3 LYS A 22 7.552 -11.986 -28.769 1.00 22.32 H new ATOM 0 HG2 LYS A 22 6.561 -10.088 -29.647 1.00 63.31 H new ATOM 0 HG3 LYS A 22 7.107 -10.416 -31.280 1.00 63.31 H new ATOM 0 HD2 LYS A 22 4.730 -10.775 -31.247 1.00 72.35 H new ATOM 0 HD3 LYS A 22 5.485 -12.350 -31.378 1.00 72.35 H new ATOM 0 HE2 LYS A 22 5.322 -12.450 -28.789 1.00 30.44 H new ATOM 0 HE3 LYS A 22 4.238 -11.079 -28.922 1.00 30.44 H new ATOM 0 HZ1 LYS A 22 3.459 -13.635 -29.058 1.00 1.31 H new ATOM 0 HZ2 LYS A 22 2.594 -12.345 -29.746 1.00 1.31 H new ATOM 0 HZ3 LYS A 22 3.628 -13.284 -30.711 1.00 1.31 H new ATOM 356 N ILE A 23 10.331 -9.534 -29.817 1.00 10.52 N ATOM 357 CA ILE A 23 10.883 -8.434 -29.035 1.00 21.43 C ATOM 358 C ILE A 23 9.802 -7.758 -28.198 1.00 45.43 C ATOM 359 O ILE A 23 8.715 -7.442 -28.682 1.00 1.22 O ATOM 360 CB ILE A 23 11.552 -7.381 -29.938 1.00 23.43 C ATOM 361 CG1 ILE A 23 12.632 -8.033 -30.804 1.00 4.22 C ATOM 362 CG2 ILE A 23 12.145 -6.261 -29.096 1.00 31.33 C ATOM 363 CD1 ILE A 23 13.303 -7.071 -31.759 1.00 54.53 C ATOM 0 H ILE A 23 10.511 -9.472 -30.819 1.00 10.52 H new ATOM 0 HA ILE A 23 11.636 -8.863 -28.374 1.00 21.43 H new ATOM 0 HB ILE A 23 10.795 -6.953 -30.595 1.00 23.43 H new ATOM 0 HG12 ILE A 23 13.388 -8.475 -30.156 1.00 4.22 H new ATOM 0 HG13 ILE A 23 12.186 -8.847 -31.375 1.00 4.22 H new ATOM 0 HG21 ILE A 23 12.614 -5.525 -29.748 1.00 31.33 H new ATOM 0 HG22 ILE A 23 11.354 -5.782 -28.518 1.00 31.33 H new ATOM 0 HG23 ILE A 23 12.892 -6.673 -28.417 1.00 31.33 H new ATOM 0 HD11 ILE A 23 14.057 -7.602 -32.340 1.00 54.53 H new ATOM 0 HD12 ILE A 23 12.558 -6.647 -32.432 1.00 54.53 H new ATOM 0 HD13 ILE A 23 13.779 -6.270 -31.194 1.00 54.53 H new ATOM 375 N PRO A 24 10.107 -7.527 -26.913 1.00 20.14 N ATOM 376 CA PRO A 24 9.177 -6.881 -25.982 1.00 54.22 C ATOM 377 C PRO A 24 8.971 -5.404 -26.300 1.00 42.33 C ATOM 378 O PRO A 24 9.934 -4.650 -26.441 1.00 14.25 O ATOM 379 CB PRO A 24 9.862 -7.045 -24.624 1.00 22.04 C ATOM 380 CG PRO A 24 11.312 -7.171 -24.944 1.00 12.05 C ATOM 381 CD PRO A 24 11.383 -7.879 -26.268 1.00 65.01 C ATOM 0 HA PRO A 24 8.182 -7.323 -26.028 1.00 54.22 H new ATOM 0 HB2 PRO A 24 9.672 -6.187 -23.979 1.00 22.04 H new ATOM 0 HB3 PRO A 24 9.494 -7.927 -24.099 1.00 22.04 H new ATOM 0 HG2 PRO A 24 11.786 -6.191 -24.999 1.00 12.05 H new ATOM 0 HG3 PRO A 24 11.835 -7.735 -24.171 1.00 12.05 H new ATOM 0 HD2 PRO A 24 12.237 -7.544 -26.857 1.00 65.01 H new ATOM 0 HD3 PRO A 24 11.486 -8.957 -26.142 1.00 65.01 H new ATOM 389 N ALA A 25 7.711 -4.997 -26.412 1.00 50.13 N ATOM 390 CA ALA A 25 7.380 -3.609 -26.710 1.00 71.15 C ATOM 391 C ALA A 25 6.114 -3.177 -25.978 1.00 22.11 C ATOM 392 O ALA A 25 5.079 -3.836 -26.068 1.00 21.32 O ATOM 393 CB ALA A 25 7.216 -3.416 -28.211 1.00 35.42 C ATOM 0 H ALA A 25 6.903 -5.609 -26.301 1.00 50.13 H new ATOM 0 HA ALA A 25 8.201 -2.983 -26.362 1.00 71.15 H new ATOM 0 HB1 ALA A 25 6.969 -2.375 -28.419 1.00 35.42 H new ATOM 0 HB2 ALA A 25 8.147 -3.676 -28.715 1.00 35.42 H new ATOM 0 HB3 ALA A 25 6.415 -4.059 -28.575 1.00 35.42 H new ATOM 399 N GLU A 26 6.205 -2.066 -25.253 1.00 24.51 N ATOM 400 CA GLU A 26 5.067 -1.549 -24.503 1.00 20.23 C ATOM 401 C GLU A 26 4.084 -0.837 -25.428 1.00 30.43 C ATOM 402 O GLU A 26 4.466 -0.316 -26.476 1.00 75.44 O ATOM 403 CB GLU A 26 5.542 -0.590 -23.410 1.00 12.45 C ATOM 404 CG GLU A 26 4.478 -0.275 -22.372 1.00 14.32 C ATOM 405 CD GLU A 26 5.066 0.037 -21.009 1.00 75.02 C ATOM 406 OE1 GLU A 26 5.919 -0.744 -20.539 1.00 61.43 O ATOM 407 OE2 GLU A 26 4.672 1.061 -20.413 1.00 4.21 O ATOM 0 H GLU A 26 7.054 -1.508 -25.170 1.00 24.51 H new ATOM 0 HA GLU A 26 4.556 -2.393 -24.039 1.00 20.23 H new ATOM 0 HB2 GLU A 26 6.408 -1.023 -22.910 1.00 12.45 H new ATOM 0 HB3 GLU A 26 5.873 0.340 -23.873 1.00 12.45 H new ATOM 0 HG2 GLU A 26 3.886 0.575 -22.711 1.00 14.32 H new ATOM 0 HG3 GLU A 26 3.799 -1.123 -22.285 1.00 14.32 H new ATOM 414 N THR A 27 2.815 -0.820 -25.032 1.00 51.41 N ATOM 415 CA THR A 27 1.776 -0.173 -25.824 1.00 63.13 C ATOM 416 C THR A 27 1.043 0.887 -25.010 1.00 21.51 C ATOM 417 O THR A 27 1.410 1.172 -23.869 1.00 62.32 O ATOM 418 CB THR A 27 0.754 -1.197 -26.353 1.00 12.23 C ATOM 419 OG1 THR A 27 -0.031 -1.709 -25.270 1.00 23.31 O ATOM 420 CG2 THR A 27 1.455 -2.344 -27.065 1.00 11.31 C ATOM 0 H THR A 27 2.482 -1.247 -24.168 1.00 51.41 H new ATOM 0 HA THR A 27 2.273 0.303 -26.669 1.00 63.13 H new ATOM 0 HB THR A 27 0.103 -0.692 -27.067 1.00 12.23 H new ATOM 0 HG1 THR A 27 -0.680 -2.358 -25.614 1.00 23.31 H new ATOM 0 HG21 THR A 27 0.713 -3.054 -27.430 1.00 11.31 H new ATOM 0 HG22 THR A 27 2.028 -1.954 -27.906 1.00 11.31 H new ATOM 0 HG23 THR A 27 2.127 -2.847 -26.370 1.00 11.31 H new ATOM 428 N LEU A 28 0.005 1.467 -25.601 1.00 72.13 N ATOM 429 CA LEU A 28 -0.782 2.495 -24.929 1.00 40.34 C ATOM 430 C LEU A 28 -1.284 2.000 -23.577 1.00 73.10 C ATOM 431 O LEU A 28 -1.407 2.774 -22.627 1.00 71.21 O ATOM 432 CB LEU A 28 -1.965 2.913 -25.804 1.00 75.41 C ATOM 433 CG LEU A 28 -2.535 4.307 -25.542 1.00 13.14 C ATOM 434 CD1 LEU A 28 -1.579 5.378 -26.044 1.00 32.30 C ATOM 435 CD2 LEU A 28 -3.900 4.458 -26.198 1.00 30.32 C ATOM 0 H LEU A 28 -0.312 1.243 -26.544 1.00 72.13 H new ATOM 0 HA LEU A 28 -0.139 3.359 -24.762 1.00 40.34 H new ATOM 0 HB2 LEU A 28 -1.656 2.859 -26.848 1.00 75.41 H new ATOM 0 HB3 LEU A 28 -2.765 2.185 -25.671 1.00 75.41 H new ATOM 0 HG LEU A 28 -2.656 4.432 -24.466 1.00 13.14 H new ATOM 0 HD11 LEU A 28 -2.002 6.364 -25.849 1.00 32.30 H new ATOM 0 HD12 LEU A 28 -0.624 5.284 -25.527 1.00 32.30 H new ATOM 0 HD13 LEU A 28 -1.425 5.255 -27.116 1.00 32.30 H new ATOM 0 HD21 LEU A 28 -4.290 5.457 -26.001 1.00 30.32 H new ATOM 0 HD22 LEU A 28 -3.805 4.312 -27.274 1.00 30.32 H new ATOM 0 HD23 LEU A 28 -4.584 3.714 -25.790 1.00 30.32 H new ATOM 447 N HIS A 29 -1.571 0.704 -23.497 1.00 14.55 N ATOM 448 CA HIS A 29 -2.058 0.105 -22.259 1.00 74.12 C ATOM 449 C HIS A 29 -0.958 0.069 -21.203 1.00 62.52 C ATOM 450 O HIS A 29 -1.232 0.119 -20.005 1.00 3.41 O ATOM 451 CB HIS A 29 -2.576 -1.310 -22.522 1.00 43.34 C ATOM 452 CG HIS A 29 -4.029 -1.359 -22.883 1.00 3.34 C ATOM 453 ND1 HIS A 29 -4.623 -0.454 -23.736 1.00 53.14 N ATOM 454 CD2 HIS A 29 -5.007 -2.212 -22.501 1.00 32.44 C ATOM 455 CE1 HIS A 29 -5.905 -0.748 -23.863 1.00 11.23 C ATOM 456 NE2 HIS A 29 -6.163 -1.811 -23.123 1.00 75.22 N ATOM 0 H HIS A 29 -1.475 0.050 -24.273 1.00 14.55 H new ATOM 0 HA HIS A 29 -2.876 0.720 -21.884 1.00 74.12 H new ATOM 0 HB2 HIS A 29 -1.995 -1.757 -23.328 1.00 43.34 H new ATOM 0 HB3 HIS A 29 -2.410 -1.920 -21.634 1.00 43.34 H new ATOM 0 HD2 HIS A 29 -4.898 -3.052 -21.831 1.00 32.44 H new ATOM 0 HE1 HIS A 29 -6.620 -0.211 -24.469 1.00 11.23 H new ATOM 0 HE2 HIS A 29 -7.074 -2.261 -23.029 1.00 75.22 H new ATOM 464 N GLY A 30 0.289 -0.021 -21.657 1.00 52.31 N ATOM 465 CA GLY A 30 1.412 -0.062 -20.738 1.00 75.15 C ATOM 466 C GLY A 30 1.795 -1.478 -20.356 1.00 5.44 C ATOM 467 O GLY A 30 2.236 -1.728 -19.233 1.00 65.03 O ATOM 0 H GLY A 30 0.541 -0.066 -22.644 1.00 52.31 H new ATOM 0 HA2 GLY A 30 2.269 0.433 -21.194 1.00 75.15 H new ATOM 0 HA3 GLY A 30 1.162 0.499 -19.838 1.00 75.15 H new ATOM 471 N THR A 31 1.627 -2.408 -21.290 1.00 34.32 N ATOM 472 CA THR A 31 1.955 -3.807 -21.044 1.00 4.32 C ATOM 473 C THR A 31 2.874 -4.355 -22.130 1.00 4.35 C ATOM 474 O THR A 31 2.765 -3.980 -23.297 1.00 75.42 O ATOM 475 CB THR A 31 0.687 -4.678 -20.973 1.00 0.12 C ATOM 476 OG1 THR A 31 0.017 -4.672 -22.238 1.00 62.14 O ATOM 477 CG2 THR A 31 -0.257 -4.173 -19.892 1.00 5.23 C ATOM 0 H THR A 31 1.265 -2.218 -22.225 1.00 34.32 H new ATOM 0 HA THR A 31 2.468 -3.847 -20.083 1.00 4.32 H new ATOM 0 HB THR A 31 0.986 -5.696 -20.725 1.00 0.12 H new ATOM 0 HG1 THR A 31 -0.787 -5.230 -22.185 1.00 62.14 H new ATOM 0 HG21 THR A 31 -1.145 -4.804 -19.861 1.00 5.23 H new ATOM 0 HG22 THR A 31 0.246 -4.206 -18.925 1.00 5.23 H new ATOM 0 HG23 THR A 31 -0.549 -3.147 -20.114 1.00 5.23 H new ATOM 485 N VAL A 32 3.781 -5.244 -21.738 1.00 31.44 N ATOM 486 CA VAL A 32 4.718 -5.846 -22.678 1.00 43.15 C ATOM 487 C VAL A 32 4.545 -7.360 -22.735 1.00 5.45 C ATOM 488 O VAL A 32 4.206 -7.995 -21.736 1.00 13.13 O ATOM 489 CB VAL A 32 6.176 -5.520 -22.304 1.00 24.32 C ATOM 490 CG1 VAL A 32 6.566 -6.223 -21.012 1.00 72.44 C ATOM 491 CG2 VAL A 32 7.116 -5.907 -23.436 1.00 21.54 C ATOM 0 H VAL A 32 3.886 -5.563 -20.775 1.00 31.44 H new ATOM 0 HA VAL A 32 4.499 -5.422 -23.658 1.00 43.15 H new ATOM 0 HB VAL A 32 6.260 -4.445 -22.144 1.00 24.32 H new ATOM 0 HG11 VAL A 32 7.599 -5.981 -20.764 1.00 72.44 H new ATOM 0 HG12 VAL A 32 5.912 -5.892 -20.206 1.00 72.44 H new ATOM 0 HG13 VAL A 32 6.467 -7.301 -21.140 1.00 72.44 H new ATOM 0 HG21 VAL A 32 8.142 -5.670 -23.154 1.00 21.54 H new ATOM 0 HG22 VAL A 32 7.031 -6.976 -23.630 1.00 21.54 H new ATOM 0 HG23 VAL A 32 6.849 -5.353 -24.336 1.00 21.54 H new ATOM 501 N THR A 33 4.782 -7.934 -23.910 1.00 42.30 N ATOM 502 CA THR A 33 4.650 -9.373 -24.098 1.00 45.00 C ATOM 503 C THR A 33 5.997 -10.011 -24.420 1.00 1.12 C ATOM 504 O THR A 33 6.825 -9.421 -25.114 1.00 0.41 O ATOM 505 CB THR A 33 3.656 -9.703 -25.227 1.00 32.42 C ATOM 506 OG1 THR A 33 4.245 -9.413 -26.499 1.00 72.03 O ATOM 507 CG2 THR A 33 2.369 -8.908 -25.064 1.00 63.14 C ATOM 0 H THR A 33 5.067 -7.424 -24.746 1.00 42.30 H new ATOM 0 HA THR A 33 4.272 -9.781 -23.160 1.00 45.00 H new ATOM 0 HB THR A 33 3.417 -10.765 -25.172 1.00 32.42 H new ATOM 0 HG1 THR A 33 3.607 -9.627 -27.211 1.00 72.03 H new ATOM 0 HG21 THR A 33 1.682 -9.158 -25.873 1.00 63.14 H new ATOM 0 HG22 THR A 33 1.908 -9.154 -24.107 1.00 63.14 H new ATOM 0 HG23 THR A 33 2.594 -7.842 -25.095 1.00 63.14 H new ATOM 515 N VAL A 34 6.210 -11.221 -23.912 1.00 2.43 N ATOM 516 CA VAL A 34 7.456 -11.941 -24.149 1.00 14.24 C ATOM 517 C VAL A 34 7.188 -13.322 -24.737 1.00 45.53 C ATOM 518 O VAL A 34 6.396 -14.094 -24.199 1.00 1.54 O ATOM 519 CB VAL A 34 8.269 -12.097 -22.850 1.00 44.03 C ATOM 520 CG1 VAL A 34 7.468 -12.858 -21.806 1.00 34.23 C ATOM 521 CG2 VAL A 34 9.592 -12.794 -23.132 1.00 31.15 C ATOM 0 H VAL A 34 5.536 -11.723 -23.334 1.00 2.43 H new ATOM 0 HA VAL A 34 8.033 -11.351 -24.861 1.00 14.24 H new ATOM 0 HB VAL A 34 8.484 -11.104 -22.454 1.00 44.03 H new ATOM 0 HG11 VAL A 34 8.059 -12.958 -20.896 1.00 34.23 H new ATOM 0 HG12 VAL A 34 6.550 -12.314 -21.584 1.00 34.23 H new ATOM 0 HG13 VAL A 34 7.220 -13.848 -22.188 1.00 34.23 H new ATOM 0 HG21 VAL A 34 10.154 -12.896 -22.204 1.00 31.15 H new ATOM 0 HG22 VAL A 34 9.401 -13.782 -23.551 1.00 31.15 H new ATOM 0 HG23 VAL A 34 10.170 -12.204 -23.843 1.00 31.15 H new ATOM 531 N GLU A 35 7.856 -13.625 -25.846 1.00 70.41 N ATOM 532 CA GLU A 35 7.689 -14.914 -26.508 1.00 44.23 C ATOM 533 C GLU A 35 9.042 -15.511 -26.885 1.00 43.32 C ATOM 534 O GLU A 35 9.909 -14.822 -27.423 1.00 43.21 O ATOM 535 CB GLU A 35 6.821 -14.761 -27.759 1.00 31.13 C ATOM 536 CG GLU A 35 6.186 -16.062 -28.221 1.00 40.23 C ATOM 537 CD GLU A 35 5.912 -16.079 -29.713 1.00 31.14 C ATOM 538 OE1 GLU A 35 4.739 -16.267 -30.097 1.00 55.43 O ATOM 539 OE2 GLU A 35 6.870 -15.906 -30.495 1.00 13.44 O ATOM 0 H GLU A 35 8.516 -12.997 -26.304 1.00 70.41 H new ATOM 0 HA GLU A 35 7.194 -15.590 -25.811 1.00 44.23 H new ATOM 0 HB2 GLU A 35 6.034 -14.033 -27.559 1.00 31.13 H new ATOM 0 HB3 GLU A 35 7.431 -14.357 -28.567 1.00 31.13 H new ATOM 0 HG2 GLU A 35 6.843 -16.893 -27.966 1.00 40.23 H new ATOM 0 HG3 GLU A 35 5.252 -16.218 -27.682 1.00 40.23 H new ATOM 546 N VAL A 36 9.216 -16.797 -26.598 1.00 53.00 N ATOM 547 CA VAL A 36 10.462 -17.488 -26.905 1.00 44.44 C ATOM 548 C VAL A 36 10.195 -18.873 -27.482 1.00 23.41 C ATOM 549 O VAL A 36 9.044 -19.281 -27.634 1.00 22.22 O ATOM 550 CB VAL A 36 11.350 -17.626 -25.655 1.00 24.44 C ATOM 551 CG1 VAL A 36 11.778 -16.257 -25.149 1.00 21.35 C ATOM 552 CG2 VAL A 36 10.621 -18.402 -24.568 1.00 4.24 C ATOM 0 H VAL A 36 8.509 -17.382 -26.153 1.00 53.00 H new ATOM 0 HA VAL A 36 10.984 -16.884 -27.647 1.00 44.44 H new ATOM 0 HB VAL A 36 12.247 -18.182 -25.927 1.00 24.44 H new ATOM 0 HG11 VAL A 36 12.405 -16.375 -24.265 1.00 21.35 H new ATOM 0 HG12 VAL A 36 12.341 -15.741 -25.927 1.00 21.35 H new ATOM 0 HG13 VAL A 36 10.895 -15.672 -24.892 1.00 21.35 H new ATOM 0 HG21 VAL A 36 11.263 -18.490 -23.691 1.00 4.24 H new ATOM 0 HG22 VAL A 36 9.706 -17.875 -24.296 1.00 4.24 H new ATOM 0 HG23 VAL A 36 10.371 -19.397 -24.937 1.00 4.24 H new ATOM 562 N GLN A 37 11.267 -19.592 -27.801 1.00 32.44 N ATOM 563 CA GLN A 37 11.147 -20.933 -28.362 1.00 44.20 C ATOM 564 C GLN A 37 11.328 -21.994 -27.281 1.00 41.34 C ATOM 565 O GLN A 37 12.443 -22.245 -26.825 1.00 25.14 O ATOM 566 CB GLN A 37 12.180 -21.137 -29.472 1.00 73.50 C ATOM 567 CG GLN A 37 11.652 -21.933 -30.655 1.00 33.22 C ATOM 568 CD GLN A 37 10.894 -21.072 -31.646 1.00 42.11 C ATOM 569 OE1 GLN A 37 11.517 -19.983 -32.081 1.00 14.11 O flip ATOM 570 NE2 GLN A 37 9.762 -21.382 -32.017 1.00 54.32 N flip ATOM 0 H GLN A 37 12.227 -19.269 -27.681 1.00 32.44 H new ATOM 0 HA GLN A 37 10.146 -21.036 -28.782 1.00 44.20 H new ATOM 0 HB2 GLN A 37 12.521 -20.163 -29.823 1.00 73.50 H new ATOM 0 HB3 GLN A 37 13.049 -21.649 -29.059 1.00 73.50 H new ATOM 0 HG2 GLN A 37 12.486 -22.417 -31.163 1.00 33.22 H new ATOM 0 HG3 GLN A 37 10.997 -22.725 -30.292 1.00 33.22 H new ATOM 0 HE21 GLN A 37 9.321 -22.228 -31.657 1.00 54.32 H new ATOM 0 HE22 GLN A 37 9.265 -20.793 -32.685 1.00 54.32 H new ATOM 579 N TYR A 38 10.225 -22.613 -26.877 1.00 14.53 N ATOM 580 CA TYR A 38 10.261 -23.644 -25.846 1.00 53.53 C ATOM 581 C TYR A 38 10.489 -25.021 -26.461 1.00 45.24 C ATOM 582 O TYR A 38 9.679 -25.502 -27.253 1.00 43.30 O ATOM 583 CB TYR A 38 8.957 -23.640 -25.046 1.00 60.21 C ATOM 584 CG TYR A 38 8.616 -22.293 -24.449 1.00 63.42 C ATOM 585 CD1 TYR A 38 9.332 -21.789 -23.371 1.00 3.34 C ATOM 586 CD2 TYR A 38 7.578 -21.526 -24.963 1.00 21.21 C ATOM 587 CE1 TYR A 38 9.024 -20.559 -22.821 1.00 63.04 C ATOM 588 CE2 TYR A 38 7.264 -20.295 -24.421 1.00 41.00 C ATOM 589 CZ TYR A 38 7.990 -19.816 -23.350 1.00 52.24 C ATOM 590 OH TYR A 38 7.679 -18.590 -22.807 1.00 21.41 O ATOM 0 H TYR A 38 9.295 -22.419 -27.247 1.00 14.53 H new ATOM 0 HA TYR A 38 11.092 -23.423 -25.176 1.00 53.53 H new ATOM 0 HB2 TYR A 38 8.141 -23.957 -25.696 1.00 60.21 H new ATOM 0 HB3 TYR A 38 9.030 -24.375 -24.245 1.00 60.21 H new ATOM 0 HD1 TYR A 38 10.143 -22.368 -22.955 1.00 3.34 H new ATOM 0 HD2 TYR A 38 7.007 -21.899 -25.801 1.00 21.21 H new ATOM 0 HE1 TYR A 38 9.590 -20.182 -21.982 1.00 63.04 H new ATOM 0 HE2 TYR A 38 6.455 -19.711 -24.833 1.00 41.00 H new ATOM 0 HH TYR A 38 6.927 -18.197 -23.297 1.00 21.41 H new ATOM 600 N ALA A 39 11.599 -25.650 -26.090 1.00 64.30 N ATOM 601 CA ALA A 39 11.935 -26.973 -26.603 1.00 4.15 C ATOM 602 C ALA A 39 11.980 -28.002 -25.478 1.00 62.23 C ATOM 603 O ALA A 39 11.886 -27.655 -24.302 1.00 32.33 O ATOM 604 CB ALA A 39 13.268 -26.932 -27.336 1.00 55.25 C ATOM 0 H ALA A 39 12.281 -25.265 -25.436 1.00 64.30 H new ATOM 0 HA ALA A 39 11.156 -27.273 -27.304 1.00 4.15 H new ATOM 0 HB1 ALA A 39 13.506 -27.926 -27.714 1.00 55.25 H new ATOM 0 HB2 ALA A 39 13.203 -26.233 -28.170 1.00 55.25 H new ATOM 0 HB3 ALA A 39 14.050 -26.607 -26.650 1.00 55.25 H new ATOM 675 N LYS A 46 5.380 -24.970 -16.669 1.00 33.00 N ATOM 676 CA LYS A 46 5.769 -23.598 -16.366 1.00 54.23 C ATOM 677 C LYS A 46 7.185 -23.313 -16.855 1.00 62.32 C ATOM 678 O LYS A 46 8.107 -24.089 -16.602 1.00 44.50 O ATOM 679 CB LYS A 46 5.676 -23.340 -14.861 1.00 11.13 C ATOM 680 CG LYS A 46 6.723 -24.084 -14.051 1.00 5.24 C ATOM 681 CD LYS A 46 7.941 -23.216 -13.783 1.00 4.42 C ATOM 682 CE LYS A 46 7.763 -22.377 -12.526 1.00 61.43 C ATOM 683 NZ LYS A 46 8.189 -23.113 -11.304 1.00 34.24 N ATOM 0 HA LYS A 46 5.083 -22.929 -16.886 1.00 54.23 H new ATOM 0 HB2 LYS A 46 5.779 -22.271 -14.677 1.00 11.13 H new ATOM 0 HB3 LYS A 46 4.685 -23.630 -14.512 1.00 11.13 H new ATOM 0 HG2 LYS A 46 6.290 -24.407 -13.104 1.00 5.24 H new ATOM 0 HG3 LYS A 46 7.027 -24.984 -14.586 1.00 5.24 H new ATOM 0 HD2 LYS A 46 8.823 -23.848 -13.678 1.00 4.42 H new ATOM 0 HD3 LYS A 46 8.117 -22.561 -14.637 1.00 4.42 H new ATOM 0 HE2 LYS A 46 8.343 -21.458 -12.617 1.00 61.43 H new ATOM 0 HE3 LYS A 46 6.717 -22.086 -12.429 1.00 61.43 H new ATOM 0 HZ1 LYS A 46 8.052 -22.508 -10.469 1.00 34.24 H new ATOM 0 HZ2 LYS A 46 7.619 -23.977 -11.203 1.00 34.24 H new ATOM 0 HZ3 LYS A 46 9.194 -23.369 -11.385 1.00 34.24 H new ATOM 697 N VAL A 47 7.351 -22.196 -17.556 1.00 25.00 N ATOM 698 CA VAL A 47 8.656 -21.809 -18.079 1.00 40.15 C ATOM 699 C VAL A 47 9.261 -20.673 -17.263 1.00 11.35 C ATOM 700 O VAL A 47 8.556 -19.890 -16.625 1.00 3.12 O ATOM 701 CB VAL A 47 8.562 -21.373 -19.554 1.00 23.12 C ATOM 702 CG1 VAL A 47 8.320 -22.576 -20.452 1.00 74.41 C ATOM 703 CG2 VAL A 47 7.466 -20.334 -19.733 1.00 41.21 C ATOM 0 H VAL A 47 6.598 -21.543 -17.775 1.00 25.00 H new ATOM 0 HA VAL A 47 9.299 -22.686 -18.006 1.00 40.15 H new ATOM 0 HB VAL A 47 9.511 -20.920 -19.842 1.00 23.12 H new ATOM 0 HG11 VAL A 47 8.256 -22.249 -21.490 1.00 74.41 H new ATOM 0 HG12 VAL A 47 9.143 -23.282 -20.344 1.00 74.41 H new ATOM 0 HG13 VAL A 47 7.386 -23.061 -20.167 1.00 74.41 H new ATOM 0 HG21 VAL A 47 7.414 -20.037 -20.781 1.00 41.21 H new ATOM 0 HG22 VAL A 47 6.509 -20.758 -19.428 1.00 41.21 H new ATOM 0 HG23 VAL A 47 7.688 -19.461 -19.119 1.00 41.21 H new ATOM 713 N PRO A 48 10.599 -20.578 -17.281 1.00 13.12 N ATOM 714 CA PRO A 48 11.329 -19.541 -16.546 1.00 51.31 C ATOM 715 C PRO A 48 11.125 -18.153 -17.145 1.00 35.32 C ATOM 716 O PRO A 48 11.236 -17.967 -18.356 1.00 74.32 O ATOM 717 CB PRO A 48 12.791 -19.972 -16.683 1.00 22.02 C ATOM 718 CG PRO A 48 12.832 -20.781 -17.933 1.00 43.11 C ATOM 719 CD PRO A 48 11.502 -21.476 -18.021 1.00 15.43 C ATOM 0 HA PRO A 48 10.989 -19.458 -15.514 1.00 51.31 H new ATOM 0 HB2 PRO A 48 13.454 -19.109 -16.748 1.00 22.02 H new ATOM 0 HB3 PRO A 48 13.114 -20.557 -15.822 1.00 22.02 H new ATOM 0 HG2 PRO A 48 12.999 -20.146 -18.803 1.00 43.11 H new ATOM 0 HG3 PRO A 48 13.648 -21.503 -17.904 1.00 43.11 H new ATOM 0 HD2 PRO A 48 11.183 -21.604 -19.055 1.00 15.43 H new ATOM 0 HD3 PRO A 48 11.537 -22.469 -17.573 1.00 15.43 H new ATOM 727 N ALA A 49 10.826 -17.182 -16.288 1.00 72.21 N ATOM 728 CA ALA A 49 10.608 -15.811 -16.733 1.00 33.41 C ATOM 729 C ALA A 49 10.832 -14.822 -15.594 1.00 71.41 C ATOM 730 O ALA A 49 10.168 -14.892 -14.561 1.00 15.05 O ATOM 731 CB ALA A 49 9.204 -15.657 -17.300 1.00 30.45 C ATOM 0 H ALA A 49 10.729 -17.319 -15.282 1.00 72.21 H new ATOM 0 HA ALA A 49 11.331 -15.591 -17.518 1.00 33.41 H new ATOM 0 HB1 ALA A 49 9.055 -14.628 -17.628 1.00 30.45 H new ATOM 0 HB2 ALA A 49 9.078 -16.330 -18.148 1.00 30.45 H new ATOM 0 HB3 ALA A 49 8.472 -15.902 -16.530 1.00 30.45 H new ATOM 737 N GLN A 50 11.772 -13.904 -15.791 1.00 1.22 N ATOM 738 CA GLN A 50 12.084 -12.902 -14.778 1.00 64.12 C ATOM 739 C GLN A 50 12.714 -11.666 -15.411 1.00 65.05 C ATOM 740 O GLN A 50 13.195 -11.713 -16.544 1.00 34.34 O ATOM 741 CB GLN A 50 13.027 -13.487 -13.725 1.00 64.35 C ATOM 742 CG GLN A 50 12.781 -12.953 -12.324 1.00 34.53 C ATOM 743 CD GLN A 50 13.880 -13.334 -11.352 1.00 63.42 C ATOM 744 OE1 GLN A 50 14.196 -14.513 -11.185 1.00 12.24 O ATOM 745 NE2 GLN A 50 14.471 -12.336 -10.705 1.00 60.44 N ATOM 0 H GLN A 50 12.331 -13.833 -16.642 1.00 1.22 H new ATOM 0 HA GLN A 50 11.152 -12.606 -14.297 1.00 64.12 H new ATOM 0 HB2 GLN A 50 12.919 -14.572 -13.715 1.00 64.35 H new ATOM 0 HB3 GLN A 50 14.056 -13.271 -14.011 1.00 64.35 H new ATOM 0 HG2 GLN A 50 12.696 -11.867 -12.363 1.00 34.53 H new ATOM 0 HG3 GLN A 50 11.828 -13.334 -11.956 1.00 34.53 H new ATOM 0 HE21 GLN A 50 14.177 -11.374 -10.874 1.00 60.44 H new ATOM 0 HE22 GLN A 50 15.218 -12.532 -10.039 1.00 60.44 H new ATOM 754 N MET A 51 12.709 -10.561 -14.673 1.00 53.13 N ATOM 755 CA MET A 51 13.282 -9.312 -15.163 1.00 32.42 C ATOM 756 C MET A 51 13.674 -8.403 -14.003 1.00 5.02 C ATOM 757 O MET A 51 12.977 -8.335 -12.991 1.00 73.15 O ATOM 758 CB MET A 51 12.287 -8.593 -16.076 1.00 21.21 C ATOM 759 CG MET A 51 10.959 -8.285 -15.404 1.00 74.24 C ATOM 760 SD MET A 51 9.744 -9.599 -15.632 1.00 43.51 S ATOM 761 CE MET A 51 8.216 -8.675 -15.489 1.00 62.14 C ATOM 0 H MET A 51 12.315 -10.505 -13.734 1.00 53.13 H new ATOM 0 HA MET A 51 14.179 -9.552 -15.733 1.00 32.42 H new ATOM 0 HB2 MET A 51 12.733 -7.662 -16.424 1.00 21.21 H new ATOM 0 HB3 MET A 51 12.105 -9.208 -16.957 1.00 21.21 H new ATOM 0 HG2 MET A 51 11.123 -8.128 -14.338 1.00 74.24 H new ATOM 0 HG3 MET A 51 10.561 -7.353 -15.805 1.00 74.24 H new ATOM 0 HE1 MET A 51 7.381 -9.303 -15.799 1.00 62.14 H new ATOM 0 HE2 MET A 51 8.073 -8.366 -14.454 1.00 62.14 H new ATOM 0 HE3 MET A 51 8.263 -7.793 -16.128 1.00 62.14 H new ATOM 771 N ALA A 52 14.796 -7.706 -14.156 1.00 74.05 N ATOM 772 CA ALA A 52 15.280 -6.800 -13.122 1.00 71.32 C ATOM 773 C ALA A 52 16.168 -5.712 -13.717 1.00 34.41 C ATOM 774 O ALA A 52 16.615 -5.818 -14.859 1.00 2.41 O ATOM 775 CB ALA A 52 16.036 -7.576 -12.054 1.00 1.45 C ATOM 0 H ALA A 52 15.386 -7.752 -14.986 1.00 74.05 H new ATOM 0 HA ALA A 52 14.417 -6.317 -12.663 1.00 71.32 H new ATOM 0 HB1 ALA A 52 16.392 -6.888 -11.288 1.00 1.45 H new ATOM 0 HB2 ALA A 52 15.372 -8.312 -11.600 1.00 1.45 H new ATOM 0 HB3 ALA A 52 16.886 -8.085 -12.508 1.00 1.45 H new ATOM 781 N VAL A 53 16.418 -4.667 -12.935 1.00 43.45 N ATOM 782 CA VAL A 53 17.253 -3.559 -13.385 1.00 40.00 C ATOM 783 C VAL A 53 18.724 -3.959 -13.423 1.00 75.34 C ATOM 784 O VAL A 53 19.474 -3.522 -14.296 1.00 71.42 O ATOM 785 CB VAL A 53 17.091 -2.328 -12.473 1.00 60.13 C ATOM 786 CG1 VAL A 53 15.667 -1.797 -12.541 1.00 43.11 C ATOM 787 CG2 VAL A 53 17.473 -2.672 -11.042 1.00 30.24 C ATOM 0 H VAL A 53 16.055 -4.564 -11.987 1.00 43.45 H new ATOM 0 HA VAL A 53 16.923 -3.303 -14.392 1.00 40.00 H new ATOM 0 HB VAL A 53 17.762 -1.545 -12.826 1.00 60.13 H new ATOM 0 HG11 VAL A 53 15.571 -0.928 -11.890 1.00 43.11 H new ATOM 0 HG12 VAL A 53 15.434 -1.510 -13.567 1.00 43.11 H new ATOM 0 HG13 VAL A 53 14.974 -2.572 -12.215 1.00 43.11 H new ATOM 0 HG21 VAL A 53 17.353 -1.791 -10.411 1.00 30.24 H new ATOM 0 HG22 VAL A 53 16.829 -3.471 -10.676 1.00 30.24 H new ATOM 0 HG23 VAL A 53 18.512 -3.001 -11.012 1.00 30.24 H new ATOM 797 N ASP A 54 19.129 -4.793 -12.472 1.00 72.21 N ATOM 798 CA ASP A 54 20.510 -5.255 -12.398 1.00 30.41 C ATOM 799 C ASP A 54 20.591 -6.762 -12.621 1.00 24.45 C ATOM 800 O ASP A 54 19.578 -7.460 -12.589 1.00 51.23 O ATOM 801 CB ASP A 54 21.119 -4.894 -11.042 1.00 41.13 C ATOM 802 CG ASP A 54 20.124 -5.028 -9.906 1.00 41.13 C ATOM 803 OD1 ASP A 54 20.069 -4.116 -9.055 1.00 10.22 O ATOM 804 OD2 ASP A 54 19.400 -6.044 -9.869 1.00 60.42 O ATOM 0 H ASP A 54 18.521 -5.163 -11.742 1.00 72.21 H new ATOM 0 HA ASP A 54 21.076 -4.758 -13.186 1.00 30.41 H new ATOM 0 HB2 ASP A 54 21.976 -5.539 -10.849 1.00 41.13 H new ATOM 0 HB3 ASP A 54 21.492 -3.870 -11.076 1.00 41.13 H new ATOM 809 N MET A 55 21.804 -7.257 -12.846 1.00 70.41 N ATOM 810 CA MET A 55 22.017 -8.682 -13.074 1.00 42.11 C ATOM 811 C MET A 55 22.655 -9.338 -11.854 1.00 21.31 C ATOM 812 O MET A 55 22.350 -10.484 -11.525 1.00 23.31 O ATOM 813 CB MET A 55 22.901 -8.897 -14.304 1.00 4.40 C ATOM 814 CG MET A 55 24.291 -8.296 -14.166 1.00 11.03 C ATOM 815 SD MET A 55 25.203 -8.290 -15.721 1.00 61.40 S ATOM 816 CE MET A 55 26.149 -6.779 -15.553 1.00 43.22 C ATOM 0 H MET A 55 22.654 -6.693 -12.875 1.00 70.41 H new ATOM 0 HA MET A 55 21.046 -9.146 -13.248 1.00 42.11 H new ATOM 0 HB2 MET A 55 22.994 -9.967 -14.492 1.00 4.40 H new ATOM 0 HB3 MET A 55 22.410 -8.461 -15.174 1.00 4.40 H new ATOM 0 HG2 MET A 55 24.206 -7.274 -13.795 1.00 11.03 H new ATOM 0 HG3 MET A 55 24.854 -8.859 -13.421 1.00 11.03 H new ATOM 0 HE1 MET A 55 26.766 -6.636 -16.440 1.00 43.22 H new ATOM 0 HE2 MET A 55 25.469 -5.934 -15.443 1.00 43.22 H new ATOM 0 HE3 MET A 55 26.789 -6.846 -14.673 1.00 43.22 H new ATOM 826 N GLN A 56 23.541 -8.605 -11.188 1.00 51.40 N ATOM 827 CA GLN A 56 24.221 -9.117 -10.004 1.00 53.21 C ATOM 828 C GLN A 56 23.217 -9.661 -8.993 1.00 21.01 C ATOM 829 O GLN A 56 23.357 -10.783 -8.504 1.00 44.41 O ATOM 830 CB GLN A 56 25.066 -8.017 -9.360 1.00 25.01 C ATOM 831 CG GLN A 56 26.253 -8.546 -8.571 1.00 2.23 C ATOM 832 CD GLN A 56 26.708 -7.587 -7.488 1.00 42.12 C ATOM 833 OE1 GLN A 56 25.891 -7.006 -6.774 1.00 13.12 O ATOM 834 NE2 GLN A 56 28.019 -7.416 -7.361 1.00 51.00 N ATOM 0 H GLN A 56 23.805 -7.655 -11.448 1.00 51.40 H new ATOM 0 HA GLN A 56 24.874 -9.932 -10.315 1.00 53.21 H new ATOM 0 HB2 GLN A 56 25.428 -7.345 -10.139 1.00 25.01 H new ATOM 0 HB3 GLN A 56 24.434 -7.426 -8.697 1.00 25.01 H new ATOM 0 HG2 GLN A 56 25.986 -9.501 -8.117 1.00 2.23 H new ATOM 0 HG3 GLN A 56 27.081 -8.738 -9.253 1.00 2.23 H new ATOM 0 HE21 GLN A 56 28.661 -7.918 -7.975 1.00 51.00 H new ATOM 0 HE22 GLN A 56 28.384 -6.783 -6.650 1.00 51.00 H new ATOM 843 N THR A 57 22.203 -8.859 -8.682 1.00 64.01 N ATOM 844 CA THR A 57 21.178 -9.259 -7.727 1.00 11.53 C ATOM 845 C THR A 57 19.958 -9.834 -8.438 1.00 3.23 C ATOM 846 O THR A 57 19.378 -10.825 -7.993 1.00 14.12 O ATOM 847 CB THR A 57 20.735 -8.072 -6.850 1.00 34.54 C ATOM 848 OG1 THR A 57 20.653 -6.882 -7.641 1.00 13.33 O ATOM 849 CG2 THR A 57 21.706 -7.857 -5.699 1.00 64.22 C ATOM 0 H THR A 57 22.070 -7.928 -9.078 1.00 64.01 H new ATOM 0 HA THR A 57 21.620 -10.027 -7.092 1.00 11.53 H new ATOM 0 HB THR A 57 19.753 -8.301 -6.437 1.00 34.54 H new ATOM 0 HG1 THR A 57 19.980 -7.001 -8.343 1.00 13.33 H new ATOM 0 HG21 THR A 57 21.372 -7.014 -5.094 1.00 64.22 H new ATOM 0 HG22 THR A 57 21.743 -8.755 -5.082 1.00 64.22 H new ATOM 0 HG23 THR A 57 22.700 -7.648 -6.095 1.00 64.22 H new ATOM 857 N LEU A 58 19.575 -9.208 -9.545 1.00 14.55 N ATOM 858 CA LEU A 58 18.424 -9.659 -10.319 1.00 51.03 C ATOM 859 C LEU A 58 17.184 -9.769 -9.438 1.00 74.42 C ATOM 860 O LEU A 58 16.371 -10.680 -9.602 1.00 21.44 O ATOM 861 CB LEU A 58 18.722 -11.010 -10.972 1.00 12.02 C ATOM 862 CG LEU A 58 18.072 -11.255 -12.334 1.00 33.41 C ATOM 863 CD1 LEU A 58 18.994 -10.803 -13.455 1.00 63.10 C ATOM 864 CD2 LEU A 58 17.713 -12.725 -12.496 1.00 73.34 C ATOM 0 H LEU A 58 20.044 -8.387 -9.927 1.00 14.55 H new ATOM 0 HA LEU A 58 18.229 -8.921 -11.097 1.00 51.03 H new ATOM 0 HB2 LEU A 58 19.802 -11.106 -11.085 1.00 12.02 H new ATOM 0 HB3 LEU A 58 18.401 -11.799 -10.291 1.00 12.02 H new ATOM 0 HG LEU A 58 17.155 -10.669 -12.388 1.00 33.41 H new ATOM 0 HD11 LEU A 58 18.514 -10.985 -14.417 1.00 63.10 H new ATOM 0 HD12 LEU A 58 19.201 -9.738 -13.349 1.00 63.10 H new ATOM 0 HD13 LEU A 58 19.929 -11.361 -13.404 1.00 63.10 H new ATOM 0 HD21 LEU A 58 17.251 -12.881 -13.471 1.00 73.34 H new ATOM 0 HD22 LEU A 58 18.616 -13.331 -12.421 1.00 73.34 H new ATOM 0 HD23 LEU A 58 17.014 -13.017 -11.712 1.00 73.34 H new ATOM 876 N THR A 59 17.042 -8.834 -8.504 1.00 23.10 N ATOM 877 CA THR A 59 15.902 -8.826 -7.597 1.00 31.24 C ATOM 878 C THR A 59 14.588 -8.928 -8.364 1.00 24.45 C ATOM 879 O THR A 59 14.445 -8.407 -9.470 1.00 3.14 O ATOM 880 CB THR A 59 15.881 -7.552 -6.732 1.00 54.41 C ATOM 881 OG1 THR A 59 14.605 -7.412 -6.096 1.00 61.13 O ATOM 882 CG2 THR A 59 16.169 -6.320 -7.577 1.00 1.21 C ATOM 0 H THR A 59 17.703 -8.072 -8.356 1.00 23.10 H new ATOM 0 HA THR A 59 16.009 -9.695 -6.948 1.00 31.24 H new ATOM 0 HB THR A 59 16.657 -7.643 -5.972 1.00 54.41 H new ATOM 0 HG1 THR A 59 14.601 -6.600 -5.547 1.00 61.13 H new ATOM 0 HG21 THR A 59 16.149 -5.432 -6.945 1.00 1.21 H new ATOM 0 HG22 THR A 59 17.153 -6.416 -8.037 1.00 1.21 H new ATOM 0 HG23 THR A 59 15.412 -6.228 -8.356 1.00 1.21 H new ATOM 890 N PRO A 60 13.604 -9.615 -7.765 1.00 24.55 N ATOM 891 CA PRO A 60 12.285 -9.802 -8.374 1.00 74.34 C ATOM 892 C PRO A 60 11.482 -8.507 -8.427 1.00 35.14 C ATOM 893 O PRO A 60 11.210 -7.891 -7.396 1.00 31.32 O ATOM 894 CB PRO A 60 11.606 -10.815 -7.449 1.00 22.14 C ATOM 895 CG PRO A 60 12.282 -10.638 -6.133 1.00 3.10 C ATOM 896 CD PRO A 60 13.704 -10.262 -6.445 1.00 64.34 C ATOM 0 HA PRO A 60 12.358 -10.133 -9.410 1.00 74.34 H new ATOM 0 HB2 PRO A 60 10.535 -10.626 -7.373 1.00 22.14 H new ATOM 0 HB3 PRO A 60 11.724 -11.833 -7.821 1.00 22.14 H new ATOM 0 HG2 PRO A 60 11.793 -9.862 -5.545 1.00 3.10 H new ATOM 0 HG3 PRO A 60 12.241 -11.556 -5.547 1.00 3.10 H new ATOM 0 HD2 PRO A 60 14.114 -9.585 -5.696 1.00 64.34 H new ATOM 0 HD3 PRO A 60 14.354 -11.137 -6.474 1.00 64.34 H new ATOM 904 N VAL A 61 11.103 -8.099 -9.634 1.00 5.32 N ATOM 905 CA VAL A 61 10.329 -6.878 -9.820 1.00 12.31 C ATOM 906 C VAL A 61 9.268 -7.059 -10.900 1.00 43.01 C ATOM 907 O VAL A 61 9.278 -8.046 -11.635 1.00 11.32 O ATOM 908 CB VAL A 61 11.234 -5.691 -10.199 1.00 2.20 C ATOM 909 CG1 VAL A 61 12.221 -5.393 -9.080 1.00 53.21 C ATOM 910 CG2 VAL A 61 11.964 -5.973 -11.503 1.00 63.43 C ATOM 0 H VAL A 61 11.320 -8.597 -10.498 1.00 5.32 H new ATOM 0 HA VAL A 61 9.842 -6.664 -8.868 1.00 12.31 H new ATOM 0 HB VAL A 61 10.608 -4.811 -10.343 1.00 2.20 H new ATOM 0 HG11 VAL A 61 12.852 -4.551 -9.366 1.00 53.21 H new ATOM 0 HG12 VAL A 61 11.675 -5.145 -8.170 1.00 53.21 H new ATOM 0 HG13 VAL A 61 12.844 -6.269 -8.901 1.00 53.21 H new ATOM 0 HG21 VAL A 61 12.599 -5.124 -11.756 1.00 63.43 H new ATOM 0 HG22 VAL A 61 12.580 -6.865 -11.390 1.00 63.43 H new ATOM 0 HG23 VAL A 61 11.237 -6.132 -12.300 1.00 63.43 H new ATOM 920 N GLY A 62 8.354 -6.098 -10.991 1.00 74.22 N ATOM 921 CA GLY A 62 7.298 -6.171 -11.984 1.00 51.13 C ATOM 922 C GLY A 62 6.009 -6.734 -11.420 1.00 32.31 C ATOM 923 O GLY A 62 5.977 -7.215 -10.287 1.00 1.52 O ATOM 0 H GLY A 62 8.326 -5.271 -10.395 1.00 74.22 H new ATOM 0 HA2 GLY A 62 7.111 -5.175 -12.385 1.00 51.13 H new ATOM 0 HA3 GLY A 62 7.629 -6.792 -12.816 1.00 51.13 H new ATOM 927 N ARG A 63 4.942 -6.674 -12.211 1.00 24.33 N ATOM 928 CA ARG A 63 3.644 -7.179 -11.782 1.00 33.42 C ATOM 929 C ARG A 63 3.336 -8.520 -12.443 1.00 3.21 C ATOM 930 O ARG A 63 3.974 -8.901 -13.425 1.00 43.54 O ATOM 931 CB ARG A 63 2.544 -6.170 -12.116 1.00 43.41 C ATOM 932 CG ARG A 63 2.300 -5.148 -11.017 1.00 24.51 C ATOM 933 CD ARG A 63 3.442 -4.148 -10.923 1.00 13.10 C ATOM 934 NE ARG A 63 3.081 -2.980 -10.124 1.00 41.20 N ATOM 935 CZ ARG A 63 2.292 -2.005 -10.562 1.00 43.11 C ATOM 936 NH1 ARG A 63 1.784 -2.058 -11.786 1.00 20.15 N ATOM 937 NH2 ARG A 63 2.010 -0.974 -9.776 1.00 21.24 N ATOM 0 H ARG A 63 4.952 -6.281 -13.152 1.00 24.33 H new ATOM 0 HA ARG A 63 3.679 -7.325 -10.702 1.00 33.42 H new ATOM 0 HB2 ARG A 63 2.810 -5.647 -13.035 1.00 43.41 H new ATOM 0 HB3 ARG A 63 1.617 -6.708 -12.312 1.00 43.41 H new ATOM 0 HG2 ARG A 63 1.367 -4.619 -11.211 1.00 24.51 H new ATOM 0 HG3 ARG A 63 2.184 -5.660 -10.062 1.00 24.51 H new ATOM 0 HD2 ARG A 63 4.313 -4.633 -10.483 1.00 13.10 H new ATOM 0 HD3 ARG A 63 3.727 -3.828 -11.925 1.00 13.10 H new ATOM 0 HE ARG A 63 3.455 -2.909 -9.178 1.00 41.20 H new ATOM 0 HH11 ARG A 63 1.999 -2.849 -12.394 1.00 20.15 H new ATOM 0 HH12 ARG A 63 1.178 -1.308 -12.120 1.00 20.15 H new ATOM 0 HH21 ARG A 63 2.399 -0.929 -8.834 1.00 21.24 H new ATOM 0 HH22 ARG A 63 1.404 -0.226 -10.114 1.00 21.24 H new ATOM 951 N LEU A 64 2.356 -9.231 -11.898 1.00 30.34 N ATOM 952 CA LEU A 64 1.963 -10.530 -12.434 1.00 43.10 C ATOM 953 C LEU A 64 0.639 -10.431 -13.185 1.00 24.10 C ATOM 954 O LEU A 64 -0.419 -10.262 -12.578 1.00 25.11 O ATOM 955 CB LEU A 64 1.847 -11.556 -11.305 1.00 44.05 C ATOM 956 CG LEU A 64 1.414 -12.963 -11.719 1.00 51.33 C ATOM 957 CD1 LEU A 64 2.036 -14.004 -10.802 1.00 72.32 C ATOM 958 CD2 LEU A 64 -0.103 -13.078 -11.709 1.00 34.12 C ATOM 0 H LEU A 64 1.818 -8.930 -11.085 1.00 30.34 H new ATOM 0 HA LEU A 64 2.733 -10.855 -13.134 1.00 43.10 H new ATOM 0 HB2 LEU A 64 2.813 -11.627 -10.805 1.00 44.05 H new ATOM 0 HB3 LEU A 64 1.135 -11.180 -10.571 1.00 44.05 H new ATOM 0 HG LEU A 64 1.766 -13.147 -12.734 1.00 51.33 H new ATOM 0 HD11 LEU A 64 1.717 -14.999 -11.112 1.00 72.32 H new ATOM 0 HD12 LEU A 64 3.122 -13.937 -10.860 1.00 72.32 H new ATOM 0 HD13 LEU A 64 1.715 -13.823 -9.776 1.00 72.32 H new ATOM 0 HD21 LEU A 64 -0.393 -14.086 -12.006 1.00 34.12 H new ATOM 0 HD22 LEU A 64 -0.477 -12.874 -10.706 1.00 34.12 H new ATOM 0 HD23 LEU A 64 -0.527 -12.357 -12.408 1.00 34.12 H new ATOM 970 N ILE A 65 0.706 -10.540 -14.508 1.00 12.34 N ATOM 971 CA ILE A 65 -0.488 -10.465 -15.341 1.00 0.14 C ATOM 972 C ILE A 65 -0.973 -11.856 -15.732 1.00 70.54 C ATOM 973 O ILE A 65 -2.167 -12.152 -15.667 1.00 41.24 O ATOM 974 CB ILE A 65 -0.232 -9.644 -16.618 1.00 73.04 C ATOM 975 CG1 ILE A 65 0.420 -8.305 -16.268 1.00 51.14 C ATOM 976 CG2 ILE A 65 -1.533 -9.424 -17.376 1.00 13.13 C ATOM 977 CD1 ILE A 65 -0.419 -7.446 -15.348 1.00 73.23 C ATOM 0 H ILE A 65 1.574 -10.680 -15.025 1.00 12.34 H new ATOM 0 HA ILE A 65 -1.256 -9.969 -14.748 1.00 0.14 H new ATOM 0 HB ILE A 65 0.450 -10.202 -17.260 1.00 73.04 H new ATOM 0 HG12 ILE A 65 1.385 -8.492 -15.797 1.00 51.14 H new ATOM 0 HG13 ILE A 65 0.616 -7.754 -17.188 1.00 51.14 H new ATOM 0 HG21 ILE A 65 -1.336 -8.842 -18.276 1.00 13.13 H new ATOM 0 HG22 ILE A 65 -1.960 -10.388 -17.653 1.00 13.13 H new ATOM 0 HG23 ILE A 65 -2.237 -8.884 -16.742 1.00 13.13 H new ATOM 0 HD11 ILE A 65 0.105 -6.513 -15.143 1.00 73.23 H new ATOM 0 HD12 ILE A 65 -1.375 -7.228 -15.825 1.00 73.23 H new ATOM 0 HD13 ILE A 65 -0.593 -7.977 -14.412 1.00 73.23 H new ATOM 989 N THR A 66 -0.038 -12.711 -16.138 1.00 55.42 N ATOM 990 CA THR A 66 -0.370 -14.072 -16.540 1.00 4.05 C ATOM 991 C THR A 66 -0.694 -14.939 -15.328 1.00 53.42 C ATOM 992 O THR A 66 -0.190 -14.702 -14.231 1.00 63.30 O ATOM 993 CB THR A 66 0.784 -14.722 -17.327 1.00 53.21 C ATOM 994 OG1 THR A 66 1.859 -13.788 -17.481 1.00 73.41 O ATOM 995 CG2 THR A 66 0.310 -15.187 -18.695 1.00 73.55 C ATOM 0 H THR A 66 0.955 -12.484 -16.197 1.00 55.42 H new ATOM 0 HA THR A 66 -1.248 -14.007 -17.183 1.00 4.05 H new ATOM 0 HB THR A 66 1.134 -15.589 -16.767 1.00 53.21 H new ATOM 0 HG1 THR A 66 2.589 -14.209 -17.981 1.00 73.41 H new ATOM 0 HG21 THR A 66 1.142 -15.643 -19.233 1.00 73.55 H new ATOM 0 HG22 THR A 66 -0.488 -15.919 -18.574 1.00 73.55 H new ATOM 0 HG23 THR A 66 -0.063 -14.333 -19.260 1.00 73.55 H new ATOM 1003 N ALA A 67 -1.539 -15.943 -15.535 1.00 34.33 N ATOM 1004 CA ALA A 67 -1.928 -16.848 -14.460 1.00 13.43 C ATOM 1005 C ALA A 67 -1.025 -18.075 -14.421 1.00 62.43 C ATOM 1006 O ALA A 67 -0.411 -18.374 -13.398 1.00 1.11 O ATOM 1007 CB ALA A 67 -3.383 -17.265 -14.621 1.00 44.13 C ATOM 0 H ALA A 67 -1.968 -16.151 -16.437 1.00 34.33 H new ATOM 0 HA ALA A 67 -1.816 -16.318 -13.514 1.00 13.43 H new ATOM 0 HB1 ALA A 67 -3.660 -17.941 -13.812 1.00 44.13 H new ATOM 0 HB2 ALA A 67 -4.020 -16.381 -14.590 1.00 44.13 H new ATOM 0 HB3 ALA A 67 -3.512 -17.772 -15.577 1.00 44.13 H new ATOM 1013 N ASN A 68 -0.949 -18.784 -15.543 1.00 50.02 N ATOM 1014 CA ASN A 68 -0.122 -19.981 -15.636 1.00 62.55 C ATOM 1015 C ASN A 68 -0.029 -20.468 -17.080 1.00 12.44 C ATOM 1016 O ASN A 68 -0.625 -21.475 -17.461 1.00 73.00 O ATOM 1017 CB ASN A 68 -0.691 -21.090 -14.749 1.00 21.04 C ATOM 1018 CG ASN A 68 0.173 -22.337 -14.756 1.00 15.35 C ATOM 1019 OD1 ASN A 68 1.361 -22.284 -14.439 1.00 1.11 O ATOM 1020 ND2 ASN A 68 -0.423 -23.467 -15.118 1.00 12.20 N ATOM 0 H ASN A 68 -1.450 -18.550 -16.400 1.00 50.02 H new ATOM 0 HA ASN A 68 0.880 -19.727 -15.291 1.00 62.55 H new ATOM 0 HB2 ASN A 68 -0.785 -20.722 -13.727 1.00 21.04 H new ATOM 0 HB3 ASN A 68 -1.695 -21.345 -15.089 1.00 21.04 H new ATOM 0 HD21 ASN A 68 0.107 -24.338 -15.141 1.00 12.20 H new ATOM 0 HD22 ASN A 68 -1.411 -23.464 -15.373 1.00 12.20 H new ATOM 1027 N PRO A 69 0.737 -19.736 -17.902 1.00 52.14 N ATOM 1028 CA PRO A 69 0.926 -20.073 -19.317 1.00 12.25 C ATOM 1029 C PRO A 69 1.759 -21.336 -19.505 1.00 40.11 C ATOM 1030 O PRO A 69 2.864 -21.448 -18.975 1.00 2.35 O ATOM 1031 CB PRO A 69 1.666 -18.855 -19.875 1.00 65.33 C ATOM 1032 CG PRO A 69 2.367 -18.266 -18.700 1.00 64.01 C ATOM 1033 CD PRO A 69 1.478 -18.524 -17.515 1.00 53.45 C ATOM 0 HA PRO A 69 -0.020 -20.280 -19.818 1.00 12.25 H new ATOM 0 HB2 PRO A 69 2.372 -19.143 -20.654 1.00 65.33 H new ATOM 0 HB3 PRO A 69 0.973 -18.141 -20.321 1.00 65.33 H new ATOM 0 HG2 PRO A 69 3.346 -18.724 -18.560 1.00 64.01 H new ATOM 0 HG3 PRO A 69 2.532 -17.198 -18.839 1.00 64.01 H new ATOM 0 HD2 PRO A 69 2.057 -18.680 -16.605 1.00 53.45 H new ATOM 0 HD3 PRO A 69 0.807 -17.686 -17.326 1.00 53.45 H new ATOM 1041 N VAL A 70 1.222 -22.286 -20.265 1.00 1.53 N ATOM 1042 CA VAL A 70 1.918 -23.540 -20.527 1.00 1.35 C ATOM 1043 C VAL A 70 1.774 -23.954 -21.987 1.00 11.34 C ATOM 1044 O VAL A 70 0.854 -23.516 -22.679 1.00 3.35 O ATOM 1045 CB VAL A 70 1.389 -24.673 -19.628 1.00 71.42 C ATOM 1046 CG1 VAL A 70 1.512 -24.293 -18.160 1.00 71.55 C ATOM 1047 CG2 VAL A 70 -0.053 -25.005 -19.983 1.00 1.53 C ATOM 0 H VAL A 70 0.307 -22.211 -20.710 1.00 1.53 H new ATOM 0 HA VAL A 70 2.971 -23.371 -20.303 1.00 1.35 H new ATOM 0 HB VAL A 70 1.995 -25.562 -19.799 1.00 71.42 H new ATOM 0 HG11 VAL A 70 1.133 -25.106 -17.541 1.00 71.55 H new ATOM 0 HG12 VAL A 70 2.559 -24.110 -17.918 1.00 71.55 H new ATOM 0 HG13 VAL A 70 0.932 -23.390 -17.968 1.00 71.55 H new ATOM 0 HG21 VAL A 70 -0.411 -25.808 -19.338 1.00 1.53 H new ATOM 0 HG22 VAL A 70 -0.675 -24.121 -19.842 1.00 1.53 H new ATOM 0 HG23 VAL A 70 -0.107 -25.324 -21.024 1.00 1.53 H new ATOM 1057 N ILE A 71 2.688 -24.800 -22.449 1.00 31.22 N ATOM 1058 CA ILE A 71 2.661 -25.275 -23.827 1.00 21.24 C ATOM 1059 C ILE A 71 1.740 -26.481 -23.974 1.00 70.45 C ATOM 1060 O ILE A 71 2.077 -27.590 -23.557 1.00 44.12 O ATOM 1061 CB ILE A 71 4.070 -25.656 -24.318 1.00 61.02 C ATOM 1062 CG1 ILE A 71 5.064 -24.537 -24.002 1.00 42.42 C ATOM 1063 CG2 ILE A 71 4.049 -25.948 -25.811 1.00 43.53 C ATOM 1064 CD1 ILE A 71 4.774 -23.246 -24.735 1.00 54.32 C ATOM 0 H ILE A 71 3.456 -25.171 -21.890 1.00 31.22 H new ATOM 0 HA ILE A 71 2.282 -24.455 -24.437 1.00 21.24 H new ATOM 0 HB ILE A 71 4.390 -26.558 -23.796 1.00 61.02 H new ATOM 0 HG12 ILE A 71 5.054 -24.346 -22.929 1.00 42.42 H new ATOM 0 HG13 ILE A 71 6.069 -24.872 -24.257 1.00 42.42 H new ATOM 0 HG21 ILE A 71 5.052 -26.216 -26.144 1.00 43.53 H new ATOM 0 HG22 ILE A 71 3.368 -26.775 -26.010 1.00 43.53 H new ATOM 0 HG23 ILE A 71 3.712 -25.063 -26.350 1.00 43.53 H new ATOM 0 HD11 ILE A 71 5.518 -22.498 -24.463 1.00 54.32 H new ATOM 0 HD12 ILE A 71 4.812 -23.421 -25.810 1.00 54.32 H new ATOM 0 HD13 ILE A 71 3.782 -22.887 -24.461 1.00 54.32 H new ATOM 1076 N THR A 72 0.574 -26.259 -24.573 1.00 40.14 N ATOM 1077 CA THR A 72 -0.396 -27.327 -24.777 1.00 54.15 C ATOM 1078 C THR A 72 -0.102 -28.099 -26.058 1.00 74.53 C ATOM 1079 O THR A 72 -0.300 -29.312 -26.121 1.00 74.31 O ATOM 1080 CB THR A 72 -1.833 -26.776 -24.842 1.00 52.43 C ATOM 1081 OG1 THR A 72 -1.862 -25.572 -25.617 1.00 64.05 O ATOM 1082 CG2 THR A 72 -2.370 -26.498 -23.446 1.00 61.41 C ATOM 0 H THR A 72 0.279 -25.348 -24.925 1.00 40.14 H new ATOM 0 HA THR A 72 -0.311 -27.999 -23.923 1.00 54.15 H new ATOM 0 HB THR A 72 -2.465 -27.528 -25.315 1.00 52.43 H new ATOM 0 HG1 THR A 72 -1.706 -25.786 -26.560 1.00 64.05 H new ATOM 0 HG21 THR A 72 -3.386 -26.110 -23.518 1.00 61.41 H new ATOM 0 HG22 THR A 72 -2.374 -27.422 -22.867 1.00 61.41 H new ATOM 0 HG23 THR A 72 -1.735 -25.763 -22.951 1.00 61.41 H new ATOM 1090 N GLU A 73 0.372 -27.389 -27.077 1.00 54.00 N ATOM 1091 CA GLU A 73 0.693 -28.010 -28.357 1.00 31.04 C ATOM 1092 C GLU A 73 1.618 -29.208 -28.163 1.00 3.21 C ATOM 1093 O GLU A 73 2.395 -29.258 -27.209 1.00 41.23 O ATOM 1094 CB GLU A 73 1.348 -26.992 -29.293 1.00 34.03 C ATOM 1095 CG GLU A 73 0.366 -26.002 -29.897 1.00 62.03 C ATOM 1096 CD GLU A 73 -0.217 -25.055 -28.866 1.00 72.43 C ATOM 1097 OE1 GLU A 73 -1.454 -25.059 -28.691 1.00 22.53 O ATOM 1098 OE2 GLU A 73 0.562 -24.311 -28.236 1.00 12.23 O ATOM 0 H GLU A 73 0.542 -26.384 -27.041 1.00 54.00 H new ATOM 0 HA GLU A 73 -0.237 -28.359 -28.806 1.00 31.04 H new ATOM 0 HB2 GLU A 73 2.112 -26.443 -28.742 1.00 34.03 H new ATOM 0 HB3 GLU A 73 1.856 -27.524 -30.097 1.00 34.03 H new ATOM 0 HG2 GLU A 73 0.869 -25.424 -30.672 1.00 62.03 H new ATOM 0 HG3 GLU A 73 -0.443 -26.548 -30.381 1.00 62.03 H new ATOM 1105 N SER A 74 1.529 -30.171 -29.074 1.00 75.14 N ATOM 1106 CA SER A 74 2.354 -31.371 -29.002 1.00 74.31 C ATOM 1107 C SER A 74 3.559 -31.259 -29.931 1.00 11.33 C ATOM 1108 O SER A 74 4.652 -31.727 -29.610 1.00 34.32 O ATOM 1109 CB SER A 74 1.528 -32.606 -29.367 1.00 72.32 C ATOM 1110 OG SER A 74 0.603 -32.314 -30.401 1.00 24.32 O ATOM 0 H SER A 74 0.893 -30.144 -29.871 1.00 75.14 H new ATOM 0 HA SER A 74 2.715 -31.473 -27.978 1.00 74.31 H new ATOM 0 HB2 SER A 74 2.192 -33.410 -29.685 1.00 72.32 H new ATOM 0 HB3 SER A 74 0.993 -32.963 -28.487 1.00 72.32 H new ATOM 0 HG SER A 74 0.089 -33.120 -30.617 1.00 24.32 H new ATOM 1116 N THR A 75 3.352 -30.633 -31.085 1.00 71.15 N ATOM 1117 CA THR A 75 4.420 -30.458 -32.062 1.00 75.41 C ATOM 1118 C THR A 75 5.642 -29.805 -31.429 1.00 4.22 C ATOM 1119 O THR A 75 5.596 -29.362 -30.282 1.00 22.45 O ATOM 1120 CB THR A 75 3.955 -29.603 -33.256 1.00 14.14 C ATOM 1121 OG1 THR A 75 4.946 -29.624 -34.289 1.00 14.10 O ATOM 1122 CG2 THR A 75 3.695 -28.167 -32.824 1.00 71.50 C ATOM 0 H THR A 75 2.454 -30.239 -31.366 1.00 71.15 H new ATOM 0 HA THR A 75 4.687 -31.452 -32.420 1.00 75.41 H new ATOM 0 HB THR A 75 3.025 -30.025 -33.637 1.00 14.14 H new ATOM 0 HG1 THR A 75 4.642 -29.080 -35.045 1.00 14.10 H new ATOM 0 HG21 THR A 75 3.368 -27.582 -33.684 1.00 71.50 H new ATOM 0 HG22 THR A 75 2.919 -28.152 -32.058 1.00 71.50 H new ATOM 0 HG23 THR A 75 4.612 -27.737 -32.420 1.00 71.50 H new ATOM 1130 N GLU A 76 6.735 -29.747 -32.184 1.00 72.03 N ATOM 1131 CA GLU A 76 7.970 -29.146 -31.695 1.00 62.31 C ATOM 1132 C GLU A 76 8.034 -27.664 -32.054 1.00 31.51 C ATOM 1133 O GLU A 76 7.165 -27.147 -32.754 1.00 50.21 O ATOM 1134 CB GLU A 76 9.183 -29.876 -32.276 1.00 41.34 C ATOM 1135 CG GLU A 76 9.233 -29.859 -33.795 1.00 21.21 C ATOM 1136 CD GLU A 76 10.613 -30.179 -34.337 1.00 12.03 C ATOM 1137 OE1 GLU A 76 10.993 -29.594 -35.372 1.00 50.44 O ATOM 1138 OE2 GLU A 76 11.312 -31.014 -33.726 1.00 11.01 O ATOM 0 H GLU A 76 6.790 -30.109 -33.136 1.00 72.03 H new ATOM 0 HA GLU A 76 7.984 -29.239 -30.609 1.00 62.31 H new ATOM 0 HB2 GLU A 76 10.093 -29.419 -31.886 1.00 41.34 H new ATOM 0 HB3 GLU A 76 9.173 -30.910 -31.933 1.00 41.34 H new ATOM 0 HG2 GLU A 76 8.517 -30.581 -34.186 1.00 21.21 H new ATOM 0 HG3 GLU A 76 8.924 -28.877 -34.154 1.00 21.21 H new ATOM 1145 N ASN A 77 9.070 -26.988 -31.568 1.00 15.03 N ATOM 1146 CA ASN A 77 9.249 -25.566 -31.838 1.00 73.13 C ATOM 1147 C ASN A 77 7.989 -24.782 -31.484 1.00 73.05 C ATOM 1148 O ASN A 77 7.634 -23.818 -32.163 1.00 20.02 O ATOM 1149 CB ASN A 77 9.603 -25.347 -33.311 1.00 11.45 C ATOM 1150 CG ASN A 77 11.045 -25.702 -33.618 1.00 33.54 C ATOM 1151 OD1 ASN A 77 11.929 -24.847 -33.576 1.00 62.11 O ATOM 1152 ND2 ASN A 77 11.288 -26.971 -33.928 1.00 53.52 N ATOM 0 H ASN A 77 9.798 -27.402 -30.985 1.00 15.03 H new ATOM 0 HA ASN A 77 10.067 -25.203 -31.216 1.00 73.13 H new ATOM 0 HB2 ASN A 77 8.943 -25.950 -33.934 1.00 11.45 H new ATOM 0 HB3 ASN A 77 9.425 -24.304 -33.574 1.00 11.45 H new ATOM 0 HD21 ASN A 77 12.239 -27.270 -34.143 1.00 53.52 H new ATOM 0 HD22 ASN A 77 10.524 -27.646 -33.951 1.00 53.52 H new ATOM 1159 N SER A 78 7.317 -25.202 -30.417 1.00 71.43 N ATOM 1160 CA SER A 78 6.096 -24.541 -29.973 1.00 54.44 C ATOM 1161 C SER A 78 6.417 -23.378 -29.039 1.00 34.33 C ATOM 1162 O SER A 78 7.199 -23.520 -28.098 1.00 55.43 O ATOM 1163 CB SER A 78 5.177 -25.539 -29.267 1.00 22.53 C ATOM 1164 OG SER A 78 4.449 -26.314 -30.204 1.00 23.22 O ATOM 0 H SER A 78 7.598 -25.998 -29.844 1.00 71.43 H new ATOM 0 HA SER A 78 5.585 -24.148 -30.852 1.00 54.44 H new ATOM 0 HB2 SER A 78 5.769 -26.196 -28.630 1.00 22.53 H new ATOM 0 HB3 SER A 78 4.485 -25.004 -28.617 1.00 22.53 H new ATOM 0 HG SER A 78 4.804 -27.227 -30.219 1.00 23.22 H new ATOM 1170 N LYS A 79 5.807 -22.228 -29.305 1.00 31.04 N ATOM 1171 CA LYS A 79 6.027 -21.039 -28.490 1.00 52.20 C ATOM 1172 C LYS A 79 4.707 -20.498 -27.950 1.00 0.41 C ATOM 1173 O LYS A 79 3.634 -20.855 -28.435 1.00 41.12 O ATOM 1174 CB LYS A 79 6.736 -19.958 -29.309 1.00 63.44 C ATOM 1175 CG LYS A 79 6.000 -19.579 -30.583 1.00 23.41 C ATOM 1176 CD LYS A 79 6.961 -19.118 -31.666 1.00 0.43 C ATOM 1177 CE LYS A 79 6.260 -18.250 -32.700 1.00 1.34 C ATOM 1178 NZ LYS A 79 5.213 -19.006 -33.440 1.00 54.13 N ATOM 0 H LYS A 79 5.156 -22.094 -30.079 1.00 31.04 H new ATOM 0 HA LYS A 79 6.658 -21.319 -27.646 1.00 52.20 H new ATOM 0 HB2 LYS A 79 6.858 -19.068 -28.692 1.00 63.44 H new ATOM 0 HB3 LYS A 79 7.736 -20.307 -29.567 1.00 63.44 H new ATOM 0 HG2 LYS A 79 5.429 -20.435 -30.943 1.00 23.41 H new ATOM 0 HG3 LYS A 79 5.284 -18.785 -30.368 1.00 23.41 H new ATOM 0 HD2 LYS A 79 7.779 -18.558 -31.214 1.00 0.43 H new ATOM 0 HD3 LYS A 79 7.402 -19.986 -32.156 1.00 0.43 H new ATOM 0 HE2 LYS A 79 5.807 -17.391 -32.206 1.00 1.34 H new ATOM 0 HE3 LYS A 79 6.994 -17.861 -33.406 1.00 1.34 H new ATOM 0 HZ1 LYS A 79 4.806 -18.400 -34.181 1.00 54.13 H new ATOM 0 HZ2 LYS A 79 5.637 -19.849 -33.877 1.00 54.13 H new ATOM 0 HZ3 LYS A 79 4.464 -19.298 -32.780 1.00 54.13 H new ATOM 1192 N MET A 80 4.794 -19.633 -26.944 1.00 64.22 N ATOM 1193 CA MET A 80 3.606 -19.040 -26.341 1.00 63.32 C ATOM 1194 C MET A 80 3.871 -17.597 -25.925 1.00 54.33 C ATOM 1195 O MET A 80 5.006 -17.224 -25.631 1.00 51.13 O ATOM 1196 CB MET A 80 3.161 -19.859 -25.128 1.00 70.42 C ATOM 1197 CG MET A 80 2.305 -21.063 -25.489 1.00 0.23 C ATOM 1198 SD MET A 80 0.580 -20.626 -25.780 1.00 0.04 S ATOM 1199 CE MET A 80 -0.194 -22.240 -25.709 1.00 14.51 C ATOM 0 H MET A 80 5.675 -19.327 -26.530 1.00 64.22 H new ATOM 0 HA MET A 80 2.810 -19.045 -27.085 1.00 63.32 H new ATOM 0 HB2 MET A 80 4.043 -20.200 -24.586 1.00 70.42 H new ATOM 0 HB3 MET A 80 2.600 -19.215 -24.451 1.00 70.42 H new ATOM 0 HG2 MET A 80 2.711 -21.538 -26.382 1.00 0.23 H new ATOM 0 HG3 MET A 80 2.359 -21.797 -24.685 1.00 0.23 H new ATOM 0 HE1 MET A 80 -1.063 -22.256 -26.367 1.00 14.51 H new ATOM 0 HE2 MET A 80 0.519 -23.000 -26.030 1.00 14.51 H new ATOM 0 HE3 MET A 80 -0.509 -22.448 -24.686 1.00 14.51 H new ATOM 1209 N MET A 81 2.815 -16.789 -25.903 1.00 62.23 N ATOM 1210 CA MET A 81 2.934 -15.387 -25.522 1.00 3.24 C ATOM 1211 C MET A 81 2.588 -15.193 -24.049 1.00 23.03 C ATOM 1212 O MET A 81 1.824 -15.968 -23.473 1.00 32.41 O ATOM 1213 CB MET A 81 2.021 -14.520 -26.390 1.00 73.35 C ATOM 1214 CG MET A 81 2.449 -13.063 -26.458 1.00 62.41 C ATOM 1215 SD MET A 81 1.077 -11.952 -26.824 1.00 63.23 S ATOM 1216 CE MET A 81 0.393 -12.730 -28.285 1.00 54.44 C ATOM 0 H MET A 81 1.868 -17.082 -26.145 1.00 62.23 H new ATOM 0 HA MET A 81 3.969 -15.081 -25.678 1.00 3.24 H new ATOM 0 HB2 MET A 81 1.997 -14.930 -27.400 1.00 73.35 H new ATOM 0 HB3 MET A 81 1.005 -14.574 -26.000 1.00 73.35 H new ATOM 0 HG2 MET A 81 2.900 -12.776 -25.508 1.00 62.41 H new ATOM 0 HG3 MET A 81 3.217 -12.949 -27.223 1.00 62.41 H new ATOM 0 HE1 MET A 81 0.149 -11.966 -29.023 1.00 54.44 H new ATOM 0 HE2 MET A 81 1.124 -13.420 -28.706 1.00 54.44 H new ATOM 0 HE3 MET A 81 -0.511 -13.277 -28.017 1.00 54.44 H new ATOM 1226 N LEU A 82 3.155 -14.155 -23.444 1.00 44.01 N ATOM 1227 CA LEU A 82 2.908 -13.860 -22.037 1.00 31.21 C ATOM 1228 C LEU A 82 2.584 -12.383 -21.839 1.00 34.02 C ATOM 1229 O LEU A 82 2.759 -11.572 -22.748 1.00 23.43 O ATOM 1230 CB LEU A 82 4.125 -14.245 -21.193 1.00 53.44 C ATOM 1231 CG LEU A 82 4.211 -15.711 -20.769 1.00 12.15 C ATOM 1232 CD1 LEU A 82 4.906 -16.537 -21.840 1.00 34.13 C ATOM 1233 CD2 LEU A 82 4.938 -15.839 -19.438 1.00 44.11 C ATOM 0 H LEU A 82 3.789 -13.503 -23.906 1.00 44.01 H new ATOM 0 HA LEU A 82 2.049 -14.448 -21.714 1.00 31.21 H new ATOM 0 HB2 LEU A 82 5.025 -13.997 -21.755 1.00 53.44 H new ATOM 0 HB3 LEU A 82 4.130 -13.627 -20.295 1.00 53.44 H new ATOM 0 HG LEU A 82 3.198 -16.094 -20.645 1.00 12.15 H new ATOM 0 HD11 LEU A 82 4.958 -17.578 -21.520 1.00 34.13 H new ATOM 0 HD12 LEU A 82 4.344 -16.471 -22.772 1.00 34.13 H new ATOM 0 HD13 LEU A 82 5.915 -16.155 -21.997 1.00 34.13 H new ATOM 0 HD21 LEU A 82 4.990 -16.889 -19.151 1.00 44.11 H new ATOM 0 HD22 LEU A 82 5.947 -15.439 -19.535 1.00 44.11 H new ATOM 0 HD23 LEU A 82 4.398 -15.281 -18.673 1.00 44.11 H new ATOM 1245 N GLU A 83 2.111 -12.041 -20.644 1.00 64.01 N ATOM 1246 CA GLU A 83 1.764 -10.661 -20.327 1.00 42.32 C ATOM 1247 C GLU A 83 2.613 -10.138 -19.172 1.00 10.40 C ATOM 1248 O GLU A 83 2.652 -10.735 -18.095 1.00 50.52 O ATOM 1249 CB GLU A 83 0.279 -10.553 -19.973 1.00 65.40 C ATOM 1250 CG GLU A 83 -0.637 -10.560 -21.185 1.00 33.13 C ATOM 1251 CD GLU A 83 -1.920 -9.786 -20.950 1.00 32.41 C ATOM 1252 OE1 GLU A 83 -2.981 -10.429 -20.803 1.00 52.22 O ATOM 1253 OE2 GLU A 83 -1.863 -8.540 -20.913 1.00 55.42 O ATOM 0 H GLU A 83 1.960 -12.700 -19.881 1.00 64.01 H new ATOM 0 HA GLU A 83 1.965 -10.051 -21.208 1.00 42.32 H new ATOM 0 HB2 GLU A 83 0.009 -11.382 -19.319 1.00 65.40 H new ATOM 0 HB3 GLU A 83 0.114 -9.635 -19.409 1.00 65.40 H new ATOM 0 HG2 GLU A 83 -0.109 -10.132 -22.037 1.00 33.13 H new ATOM 0 HG3 GLU A 83 -0.881 -11.590 -21.446 1.00 33.13 H new ATOM 1260 N LEU A 84 3.292 -9.019 -19.404 1.00 32.55 N ATOM 1261 CA LEU A 84 4.141 -8.415 -18.383 1.00 64.03 C ATOM 1262 C LEU A 84 3.844 -6.926 -18.239 1.00 41.14 C ATOM 1263 O LEU A 84 3.536 -6.247 -19.219 1.00 1.31 O ATOM 1264 CB LEU A 84 5.616 -8.621 -18.732 1.00 45.25 C ATOM 1265 CG LEU A 84 6.201 -9.993 -18.396 1.00 32.13 C ATOM 1266 CD1 LEU A 84 5.570 -11.070 -19.265 1.00 44.34 C ATOM 1267 CD2 LEU A 84 7.713 -9.985 -18.566 1.00 30.32 C ATOM 0 H LEU A 84 3.271 -8.513 -20.289 1.00 32.55 H new ATOM 0 HA LEU A 84 3.927 -8.903 -17.432 1.00 64.03 H new ATOM 0 HB2 LEU A 84 5.744 -8.446 -19.800 1.00 45.25 H new ATOM 0 HB3 LEU A 84 6.201 -7.862 -18.212 1.00 45.25 H new ATOM 0 HG LEU A 84 5.974 -10.218 -17.354 1.00 32.13 H new ATOM 0 HD11 LEU A 84 5.999 -12.040 -19.012 1.00 44.34 H new ATOM 0 HD12 LEU A 84 4.494 -11.093 -19.092 1.00 44.34 H new ATOM 0 HD13 LEU A 84 5.764 -10.851 -20.315 1.00 44.34 H new ATOM 0 HD21 LEU A 84 8.112 -10.970 -18.322 1.00 30.32 H new ATOM 0 HD22 LEU A 84 7.962 -9.738 -19.598 1.00 30.32 H new ATOM 0 HD23 LEU A 84 8.150 -9.242 -17.899 1.00 30.32 H new ATOM 1279 N ASP A 85 3.941 -6.425 -17.013 1.00 14.41 N ATOM 1280 CA ASP A 85 3.687 -5.015 -16.741 1.00 52.51 C ATOM 1281 C ASP A 85 4.667 -4.476 -15.704 1.00 64.00 C ATOM 1282 O ASP A 85 4.312 -4.217 -14.554 1.00 25.11 O ATOM 1283 CB ASP A 85 2.251 -4.817 -16.254 1.00 35.52 C ATOM 1284 CG ASP A 85 1.962 -3.380 -15.867 1.00 64.21 C ATOM 1285 OD1 ASP A 85 2.262 -2.476 -16.676 1.00 35.43 O ATOM 1286 OD2 ASP A 85 1.437 -3.159 -14.756 1.00 70.12 O ATOM 0 H ASP A 85 4.194 -6.974 -16.191 1.00 14.41 H new ATOM 0 HA ASP A 85 3.827 -4.461 -17.669 1.00 52.51 H new ATOM 0 HB2 ASP A 85 1.559 -5.125 -17.038 1.00 35.52 H new ATOM 0 HB3 ASP A 85 2.069 -5.464 -15.396 1.00 35.52 H new ATOM 1291 N PRO A 86 5.932 -4.304 -16.118 1.00 14.22 N ATOM 1292 CA PRO A 86 6.990 -3.795 -15.240 1.00 34.42 C ATOM 1293 C PRO A 86 6.798 -2.323 -14.894 1.00 45.55 C ATOM 1294 O PRO A 86 5.986 -1.620 -15.495 1.00 53.44 O ATOM 1295 CB PRO A 86 8.262 -3.990 -16.068 1.00 50.33 C ATOM 1296 CG PRO A 86 7.798 -3.977 -17.484 1.00 32.42 C ATOM 1297 CD PRO A 86 6.425 -4.592 -17.475 1.00 3.41 C ATOM 0 HA PRO A 86 7.007 -4.311 -14.280 1.00 34.42 H new ATOM 0 HB2 PRO A 86 8.983 -3.194 -15.880 1.00 50.33 H new ATOM 0 HB3 PRO A 86 8.755 -4.931 -15.821 1.00 50.33 H new ATOM 0 HG2 PRO A 86 7.768 -2.960 -17.876 1.00 32.42 H new ATOM 0 HG3 PRO A 86 8.476 -4.544 -18.122 1.00 32.42 H new ATOM 0 HD2 PRO A 86 5.783 -4.152 -18.238 1.00 3.41 H new ATOM 0 HD3 PRO A 86 6.463 -5.664 -17.670 1.00 3.41 H new ATOM 1305 N PRO A 87 7.564 -1.842 -13.904 1.00 3.13 N ATOM 1306 CA PRO A 87 7.499 -0.447 -13.458 1.00 13.01 C ATOM 1307 C PRO A 87 8.062 0.520 -14.494 1.00 74.21 C ATOM 1308 O PRO A 87 8.490 0.109 -15.573 1.00 2.13 O ATOM 1309 CB PRO A 87 8.361 -0.438 -12.194 1.00 5.34 C ATOM 1310 CG PRO A 87 9.307 -1.575 -12.372 1.00 43.30 C ATOM 1311 CD PRO A 87 8.554 -2.623 -13.143 1.00 33.23 C ATOM 0 HA PRO A 87 6.473 -0.120 -13.293 1.00 13.01 H new ATOM 0 HB2 PRO A 87 8.894 0.507 -12.085 1.00 5.34 H new ATOM 0 HB3 PRO A 87 7.752 -0.566 -11.299 1.00 5.34 H new ATOM 0 HG2 PRO A 87 10.200 -1.259 -12.912 1.00 43.30 H new ATOM 0 HG3 PRO A 87 9.638 -1.962 -11.408 1.00 43.30 H new ATOM 0 HD2 PRO A 87 9.213 -3.188 -13.802 1.00 33.23 H new ATOM 0 HD3 PRO A 87 8.074 -3.343 -12.480 1.00 33.23 H new ATOM 1319 N PHE A 88 8.058 1.806 -14.160 1.00 30.01 N ATOM 1320 CA PHE A 88 8.568 2.832 -15.062 1.00 61.33 C ATOM 1321 C PHE A 88 10.082 2.967 -14.931 1.00 63.15 C ATOM 1322 O PHE A 88 10.580 3.671 -14.054 1.00 22.10 O ATOM 1323 CB PHE A 88 7.898 4.176 -14.772 1.00 13.05 C ATOM 1324 CG PHE A 88 6.408 4.156 -14.960 1.00 53.15 C ATOM 1325 CD1 PHE A 88 5.843 4.559 -16.160 1.00 33.32 C ATOM 1326 CD2 PHE A 88 5.572 3.735 -13.938 1.00 41.44 C ATOM 1327 CE1 PHE A 88 4.472 4.541 -16.337 1.00 40.21 C ATOM 1328 CE2 PHE A 88 4.201 3.715 -14.110 1.00 51.40 C ATOM 1329 CZ PHE A 88 3.650 4.120 -15.310 1.00 61.03 C ATOM 0 H PHE A 88 7.707 2.163 -13.271 1.00 30.01 H new ATOM 0 HA PHE A 88 8.334 2.531 -16.083 1.00 61.33 H new ATOM 0 HB2 PHE A 88 8.123 4.471 -13.747 1.00 13.05 H new ATOM 0 HB3 PHE A 88 8.328 4.936 -15.424 1.00 13.05 H new ATOM 0 HD1 PHE A 88 6.481 4.891 -16.966 1.00 33.32 H new ATOM 0 HD2 PHE A 88 5.997 3.419 -12.997 1.00 41.44 H new ATOM 0 HE1 PHE A 88 4.044 4.856 -17.277 1.00 40.21 H new ATOM 0 HE2 PHE A 88 3.561 3.383 -13.306 1.00 51.40 H new ATOM 0 HZ PHE A 88 2.579 4.108 -15.445 1.00 61.03 H new ATOM 1339 N GLY A 89 10.810 2.286 -15.812 1.00 32.33 N ATOM 1340 CA GLY A 89 12.259 2.342 -15.778 1.00 25.34 C ATOM 1341 C GLY A 89 12.899 1.455 -16.828 1.00 32.14 C ATOM 1342 O GLY A 89 12.466 1.434 -17.980 1.00 12.51 O ATOM 0 H GLY A 89 10.421 1.697 -16.548 1.00 32.33 H new ATOM 0 HA2 GLY A 89 12.583 3.371 -15.930 1.00 25.34 H new ATOM 0 HA3 GLY A 89 12.608 2.040 -14.790 1.00 25.34 H new ATOM 1346 N ASP A 90 13.933 0.721 -16.430 1.00 53.53 N ATOM 1347 CA ASP A 90 14.633 -0.172 -17.346 1.00 30.14 C ATOM 1348 C ASP A 90 14.885 -1.528 -16.694 1.00 71.44 C ATOM 1349 O ASP A 90 15.401 -1.607 -15.580 1.00 0.44 O ATOM 1350 CB ASP A 90 15.959 0.451 -17.785 1.00 71.44 C ATOM 1351 CG ASP A 90 16.913 -0.572 -18.370 1.00 71.25 C ATOM 1352 OD1 ASP A 90 17.040 -0.624 -19.612 1.00 11.50 O ATOM 1353 OD2 ASP A 90 17.533 -1.321 -17.587 1.00 2.42 O ATOM 0 H ASP A 90 14.304 0.727 -15.480 1.00 53.53 H new ATOM 0 HA ASP A 90 14.003 -0.321 -18.223 1.00 30.14 H new ATOM 0 HB2 ASP A 90 15.765 1.228 -18.525 1.00 71.44 H new ATOM 0 HB3 ASP A 90 16.430 0.936 -16.930 1.00 71.44 H new ATOM 1358 N SER A 91 14.516 -2.594 -17.398 1.00 22.45 N ATOM 1359 CA SER A 91 14.699 -3.948 -16.886 1.00 50.15 C ATOM 1360 C SER A 91 15.398 -4.828 -17.918 1.00 21.21 C ATOM 1361 O SER A 91 15.758 -4.368 -19.002 1.00 3.24 O ATOM 1362 CB SER A 91 13.349 -4.560 -16.509 1.00 14.35 C ATOM 1363 OG SER A 91 13.495 -5.523 -15.480 1.00 23.13 O ATOM 0 H SER A 91 14.089 -2.547 -18.323 1.00 22.45 H new ATOM 0 HA SER A 91 15.326 -3.892 -15.996 1.00 50.15 H new ATOM 0 HB2 SER A 91 12.669 -3.774 -16.182 1.00 14.35 H new ATOM 0 HB3 SER A 91 12.900 -5.026 -17.386 1.00 14.35 H new ATOM 0 HG SER A 91 12.611 -5.781 -15.146 1.00 23.13 H new ATOM 1369 N TYR A 92 15.587 -6.097 -17.573 1.00 13.13 N ATOM 1370 CA TYR A 92 16.245 -7.042 -18.466 1.00 62.43 C ATOM 1371 C TYR A 92 15.542 -8.396 -18.442 1.00 14.14 C ATOM 1372 O TYR A 92 15.858 -9.257 -17.621 1.00 20.35 O ATOM 1373 CB TYR A 92 17.713 -7.211 -18.072 1.00 65.01 C ATOM 1374 CG TYR A 92 18.607 -6.099 -18.573 1.00 54.50 C ATOM 1375 CD1 TYR A 92 18.539 -4.825 -18.020 1.00 64.35 C ATOM 1376 CD2 TYR A 92 19.517 -6.320 -19.599 1.00 54.02 C ATOM 1377 CE1 TYR A 92 19.353 -3.805 -18.475 1.00 72.52 C ATOM 1378 CE2 TYR A 92 20.335 -5.307 -20.059 1.00 51.42 C ATOM 1379 CZ TYR A 92 20.249 -4.051 -19.494 1.00 62.23 C ATOM 1380 OH TYR A 92 21.062 -3.039 -19.951 1.00 14.32 O ATOM 0 H TYR A 92 15.293 -6.495 -16.681 1.00 13.13 H new ATOM 0 HA TYR A 92 16.191 -6.643 -19.479 1.00 62.43 H new ATOM 0 HB2 TYR A 92 17.785 -7.262 -16.986 1.00 65.01 H new ATOM 0 HB3 TYR A 92 18.078 -8.162 -18.461 1.00 65.01 H new ATOM 0 HD1 TYR A 92 17.838 -4.629 -17.222 1.00 64.35 H new ATOM 0 HD2 TYR A 92 19.586 -7.301 -20.045 1.00 54.02 H new ATOM 0 HE1 TYR A 92 19.288 -2.821 -18.035 1.00 72.52 H new ATOM 0 HE2 TYR A 92 21.038 -5.497 -20.857 1.00 51.42 H new ATOM 0 HH TYR A 92 21.635 -3.379 -20.670 1.00 14.32 H new ATOM 1390 N ILE A 93 14.586 -8.575 -19.348 1.00 25.34 N ATOM 1391 CA ILE A 93 13.839 -9.824 -19.432 1.00 12.33 C ATOM 1392 C ILE A 93 14.762 -10.998 -19.737 1.00 63.11 C ATOM 1393 O ILE A 93 15.494 -10.985 -20.727 1.00 25.12 O ATOM 1394 CB ILE A 93 12.743 -9.752 -20.512 1.00 24.20 C ATOM 1395 CG1 ILE A 93 11.783 -8.597 -20.220 1.00 44.01 C ATOM 1396 CG2 ILE A 93 11.987 -11.070 -20.588 1.00 22.24 C ATOM 1397 CD1 ILE A 93 11.593 -7.659 -21.392 1.00 31.15 C ATOM 0 H ILE A 93 14.311 -7.872 -20.033 1.00 25.34 H new ATOM 0 HA ILE A 93 13.371 -9.978 -18.460 1.00 12.33 H new ATOM 0 HB ILE A 93 13.216 -9.571 -21.477 1.00 24.20 H new ATOM 0 HG12 ILE A 93 10.814 -9.004 -19.930 1.00 44.01 H new ATOM 0 HG13 ILE A 93 12.158 -8.030 -19.368 1.00 44.01 H new ATOM 0 HG21 ILE A 93 11.216 -11.003 -21.356 1.00 22.24 H new ATOM 0 HG22 ILE A 93 12.680 -11.873 -20.839 1.00 22.24 H new ATOM 0 HG23 ILE A 93 11.523 -11.279 -19.624 1.00 22.24 H new ATOM 0 HD11 ILE A 93 10.900 -6.865 -21.114 1.00 31.15 H new ATOM 0 HD12 ILE A 93 12.553 -7.223 -21.668 1.00 31.15 H new ATOM 0 HD13 ILE A 93 11.189 -8.213 -22.239 1.00 31.15 H new ATOM 1409 N VAL A 94 14.721 -12.014 -18.881 1.00 65.21 N ATOM 1410 CA VAL A 94 15.551 -13.200 -19.061 1.00 42.53 C ATOM 1411 C VAL A 94 14.703 -14.466 -19.086 1.00 55.33 C ATOM 1412 O VAL A 94 13.683 -14.555 -18.402 1.00 30.34 O ATOM 1413 CB VAL A 94 16.604 -13.323 -17.944 1.00 43.51 C ATOM 1414 CG1 VAL A 94 15.935 -13.603 -16.607 1.00 51.24 C ATOM 1415 CG2 VAL A 94 17.614 -14.409 -18.282 1.00 44.40 C ATOM 0 H VAL A 94 14.122 -12.040 -18.056 1.00 65.21 H new ATOM 0 HA VAL A 94 16.059 -13.088 -20.019 1.00 42.53 H new ATOM 0 HB VAL A 94 17.136 -12.375 -17.865 1.00 43.51 H new ATOM 0 HG11 VAL A 94 16.695 -13.687 -15.830 1.00 51.24 H new ATOM 0 HG12 VAL A 94 15.255 -12.787 -16.363 1.00 51.24 H new ATOM 0 HG13 VAL A 94 15.375 -14.536 -16.669 1.00 51.24 H new ATOM 0 HG21 VAL A 94 18.351 -14.482 -17.482 1.00 44.40 H new ATOM 0 HG22 VAL A 94 17.099 -15.364 -18.390 1.00 44.40 H new ATOM 0 HG23 VAL A 94 18.117 -14.160 -19.217 1.00 44.40 H new ATOM 1425 N ILE A 95 15.130 -15.442 -19.879 1.00 62.42 N ATOM 1426 CA ILE A 95 14.410 -16.705 -19.992 1.00 51.54 C ATOM 1427 C ILE A 95 15.362 -17.892 -19.893 1.00 11.42 C ATOM 1428 O ILE A 95 16.357 -17.965 -20.612 1.00 43.41 O ATOM 1429 CB ILE A 95 13.634 -16.793 -21.320 1.00 2.11 C ATOM 1430 CG1 ILE A 95 12.622 -15.650 -21.422 1.00 4.34 C ATOM 1431 CG2 ILE A 95 12.934 -18.139 -21.436 1.00 4.22 C ATOM 1432 CD1 ILE A 95 11.534 -15.711 -20.373 1.00 3.45 C ATOM 0 H ILE A 95 15.971 -15.383 -20.453 1.00 62.42 H new ATOM 0 HA ILE A 95 13.703 -16.740 -19.163 1.00 51.54 H new ATOM 0 HB ILE A 95 14.342 -16.701 -22.144 1.00 2.11 H new ATOM 0 HG12 ILE A 95 13.149 -14.700 -21.333 1.00 4.34 H new ATOM 0 HG13 ILE A 95 12.164 -15.668 -22.411 1.00 4.34 H new ATOM 0 HG21 ILE A 95 12.390 -18.186 -22.379 1.00 4.22 H new ATOM 0 HG22 ILE A 95 13.675 -18.938 -21.404 1.00 4.22 H new ATOM 0 HG23 ILE A 95 12.235 -18.258 -20.608 1.00 4.22 H new ATOM 0 HD11 ILE A 95 10.853 -14.870 -20.506 1.00 3.45 H new ATOM 0 HD12 ILE A 95 10.982 -16.645 -20.476 1.00 3.45 H new ATOM 0 HD13 ILE A 95 11.982 -15.662 -19.381 1.00 3.45 H new ATOM 1444 N GLY A 96 15.048 -18.822 -18.996 1.00 53.13 N ATOM 1445 CA GLY A 96 15.884 -19.995 -18.820 1.00 51.21 C ATOM 1446 C GLY A 96 17.263 -19.650 -18.294 1.00 41.14 C ATOM 1447 O GLY A 96 17.755 -18.541 -18.502 1.00 0.43 O ATOM 0 H GLY A 96 14.230 -18.784 -18.388 1.00 53.13 H new ATOM 0 HA2 GLY A 96 15.397 -20.684 -18.130 1.00 51.21 H new ATOM 0 HA3 GLY A 96 15.982 -20.514 -19.773 1.00 51.21 H new ATOM 1451 N VAL A 97 17.889 -20.602 -17.610 1.00 62.21 N ATOM 1452 CA VAL A 97 19.219 -20.393 -17.050 1.00 50.41 C ATOM 1453 C VAL A 97 20.224 -21.377 -17.638 1.00 41.40 C ATOM 1454 O VAL A 97 19.875 -22.505 -17.983 1.00 44.21 O ATOM 1455 CB VAL A 97 19.212 -20.538 -15.517 1.00 35.03 C ATOM 1456 CG1 VAL A 97 18.229 -19.559 -14.892 1.00 73.52 C ATOM 1457 CG2 VAL A 97 18.878 -21.968 -15.119 1.00 62.02 C ATOM 0 H VAL A 97 17.496 -21.526 -17.430 1.00 62.21 H new ATOM 0 HA VAL A 97 19.515 -19.377 -17.310 1.00 50.41 H new ATOM 0 HB VAL A 97 20.209 -20.304 -15.143 1.00 35.03 H new ATOM 0 HG11 VAL A 97 18.238 -19.676 -13.808 1.00 73.52 H new ATOM 0 HG12 VAL A 97 18.517 -18.540 -15.149 1.00 73.52 H new ATOM 0 HG13 VAL A 97 17.226 -19.759 -15.270 1.00 73.52 H new ATOM 0 HG21 VAL A 97 18.877 -22.053 -14.032 1.00 62.02 H new ATOM 0 HG22 VAL A 97 17.893 -22.232 -15.504 1.00 62.02 H new ATOM 0 HG23 VAL A 97 19.624 -22.645 -15.535 1.00 62.02 H new ATOM 1467 N GLY A 98 21.475 -20.941 -17.749 1.00 5.21 N ATOM 1468 CA GLY A 98 22.513 -21.796 -18.295 1.00 40.34 C ATOM 1469 C GLY A 98 23.614 -21.008 -18.977 1.00 2.11 C ATOM 1470 O GLY A 98 23.821 -19.833 -18.677 1.00 41.53 O ATOM 0 H GLY A 98 21.788 -20.011 -17.471 1.00 5.21 H new ATOM 0 HA2 GLY A 98 22.943 -22.397 -17.494 1.00 40.34 H new ATOM 0 HA3 GLY A 98 22.070 -22.489 -19.010 1.00 40.34 H new ATOM 1474 N GLU A 99 24.323 -21.657 -19.895 1.00 22.20 N ATOM 1475 CA GLU A 99 25.411 -21.009 -20.619 1.00 32.24 C ATOM 1476 C GLU A 99 24.877 -20.224 -21.813 1.00 64.15 C ATOM 1477 O GLU A 99 25.411 -19.173 -22.168 1.00 55.44 O ATOM 1478 CB GLU A 99 26.429 -22.049 -21.091 1.00 43.30 C ATOM 1479 CG GLU A 99 27.756 -21.448 -21.524 1.00 50.23 C ATOM 1480 CD GLU A 99 28.521 -20.829 -20.370 1.00 71.33 C ATOM 1481 OE1 GLU A 99 28.714 -19.595 -20.381 1.00 21.41 O ATOM 1482 OE2 GLU A 99 28.926 -21.578 -19.457 1.00 64.43 O ATOM 0 H GLU A 99 24.164 -22.630 -20.155 1.00 22.20 H new ATOM 0 HA GLU A 99 25.903 -20.313 -19.939 1.00 32.24 H new ATOM 0 HB2 GLU A 99 26.608 -22.762 -20.286 1.00 43.30 H new ATOM 0 HB3 GLU A 99 26.004 -22.609 -21.924 1.00 43.30 H new ATOM 0 HG2 GLU A 99 28.368 -22.223 -21.986 1.00 50.23 H new ATOM 0 HG3 GLU A 99 27.575 -20.688 -22.284 1.00 50.23 H new ATOM 1489 N LYS A 100 23.821 -20.743 -22.431 1.00 3.21 N ATOM 1490 CA LYS A 100 23.213 -20.092 -23.585 1.00 11.41 C ATOM 1491 C LYS A 100 22.045 -19.208 -23.158 1.00 45.41 C ATOM 1492 O LYS A 100 21.054 -19.081 -23.877 1.00 32.03 O ATOM 1493 CB LYS A 100 22.732 -21.139 -24.592 1.00 41.53 C ATOM 1494 CG LYS A 100 23.862 -21.857 -25.309 1.00 21.32 C ATOM 1495 CD LYS A 100 24.435 -22.981 -24.461 1.00 14.21 C ATOM 1496 CE LYS A 100 25.263 -23.944 -25.297 1.00 42.33 C ATOM 1497 NZ LYS A 100 25.956 -24.956 -24.454 1.00 23.34 N ATOM 0 H LYS A 100 23.368 -21.613 -22.151 1.00 3.21 H new ATOM 0 HA LYS A 100 23.969 -19.463 -24.056 1.00 11.41 H new ATOM 0 HB2 LYS A 100 22.117 -21.874 -24.073 1.00 41.53 H new ATOM 0 HB3 LYS A 100 22.094 -20.654 -25.331 1.00 41.53 H new ATOM 0 HG2 LYS A 100 23.496 -22.262 -26.253 1.00 21.32 H new ATOM 0 HG3 LYS A 100 24.651 -21.145 -25.552 1.00 21.32 H new ATOM 0 HD2 LYS A 100 25.054 -22.561 -23.668 1.00 14.21 H new ATOM 0 HD3 LYS A 100 23.623 -23.523 -23.977 1.00 14.21 H new ATOM 0 HE2 LYS A 100 24.617 -24.450 -26.014 1.00 42.33 H new ATOM 0 HE3 LYS A 100 26.000 -23.384 -25.872 1.00 42.33 H new ATOM 0 HZ1 LYS A 100 26.510 -25.593 -25.061 1.00 23.34 H new ATOM 0 HZ2 LYS A 100 26.592 -24.475 -23.786 1.00 23.34 H new ATOM 0 HZ3 LYS A 100 25.251 -25.508 -23.924 1.00 23.34 H new ATOM 1511 N LYS A 101 22.170 -18.596 -21.985 1.00 22.30 N ATOM 1512 CA LYS A 101 21.128 -17.720 -21.464 1.00 0.22 C ATOM 1513 C LYS A 101 20.770 -16.637 -22.477 1.00 64.42 C ATOM 1514 O LYS A 101 21.531 -16.370 -23.408 1.00 71.21 O ATOM 1515 CB LYS A 101 21.584 -17.075 -20.153 1.00 34.44 C ATOM 1516 CG LYS A 101 21.270 -17.910 -18.923 1.00 74.32 C ATOM 1517 CD LYS A 101 21.755 -17.235 -17.652 1.00 22.04 C ATOM 1518 CE LYS A 101 20.887 -16.040 -17.289 1.00 31.14 C ATOM 1519 NZ LYS A 101 21.497 -15.220 -16.205 1.00 75.32 N ATOM 0 H LYS A 101 22.983 -18.691 -21.377 1.00 22.30 H new ATOM 0 HA LYS A 101 20.241 -18.325 -21.276 1.00 0.22 H new ATOM 0 HB2 LYS A 101 22.659 -16.900 -20.198 1.00 34.44 H new ATOM 0 HB3 LYS A 101 21.106 -16.100 -20.052 1.00 34.44 H new ATOM 0 HG2 LYS A 101 20.195 -18.076 -18.860 1.00 74.32 H new ATOM 0 HG3 LYS A 101 21.739 -18.889 -19.018 1.00 74.32 H new ATOM 0 HD2 LYS A 101 21.748 -17.953 -16.832 1.00 22.04 H new ATOM 0 HD3 LYS A 101 22.787 -16.910 -17.783 1.00 22.04 H new ATOM 0 HE2 LYS A 101 20.736 -15.420 -18.172 1.00 31.14 H new ATOM 0 HE3 LYS A 101 19.904 -16.388 -16.972 1.00 31.14 H new ATOM 0 HZ1 LYS A 101 20.875 -14.415 -15.987 1.00 75.32 H new ATOM 0 HZ2 LYS A 101 21.618 -15.805 -15.354 1.00 75.32 H new ATOM 0 HZ3 LYS A 101 22.424 -14.866 -16.517 1.00 75.32 H new ATOM 1533 N ILE A 102 19.610 -16.017 -22.289 1.00 64.31 N ATOM 1534 CA ILE A 102 19.154 -14.962 -23.186 1.00 25.42 C ATOM 1535 C ILE A 102 18.580 -13.786 -22.404 1.00 21.24 C ATOM 1536 O ILE A 102 17.869 -13.971 -21.415 1.00 50.31 O ATOM 1537 CB ILE A 102 18.088 -15.481 -24.168 1.00 51.24 C ATOM 1538 CG1 ILE A 102 16.803 -15.839 -23.418 1.00 63.34 C ATOM 1539 CG2 ILE A 102 18.614 -16.685 -24.934 1.00 61.34 C ATOM 1540 CD1 ILE A 102 15.703 -16.357 -24.318 1.00 12.21 C ATOM 0 H ILE A 102 18.969 -16.227 -21.524 1.00 64.31 H new ATOM 0 HA ILE A 102 20.025 -14.629 -23.751 1.00 25.42 H new ATOM 0 HB ILE A 102 17.860 -14.691 -24.884 1.00 51.24 H new ATOM 0 HG12 ILE A 102 17.030 -16.593 -22.664 1.00 63.34 H new ATOM 0 HG13 ILE A 102 16.443 -14.957 -22.888 1.00 63.34 H new ATOM 0 HG21 ILE A 102 17.849 -17.040 -25.624 1.00 61.34 H new ATOM 0 HG22 ILE A 102 19.504 -16.399 -25.495 1.00 61.34 H new ATOM 0 HG23 ILE A 102 18.867 -17.480 -24.233 1.00 61.34 H new ATOM 0 HD11 ILE A 102 14.823 -16.591 -23.719 1.00 12.21 H new ATOM 0 HD12 ILE A 102 15.448 -15.596 -25.056 1.00 12.21 H new ATOM 0 HD13 ILE A 102 16.044 -17.258 -24.828 1.00 12.21 H new ATOM 1552 N THR A 103 18.892 -12.575 -22.853 1.00 53.55 N ATOM 1553 CA THR A 103 18.406 -11.367 -22.197 1.00 71.33 C ATOM 1554 C THR A 103 18.107 -10.271 -23.214 1.00 32.42 C ATOM 1555 O THR A 103 18.521 -10.354 -24.371 1.00 2.35 O ATOM 1556 CB THR A 103 19.425 -10.836 -21.172 1.00 23.32 C ATOM 1557 OG1 THR A 103 20.571 -10.308 -21.849 1.00 10.54 O ATOM 1558 CG2 THR A 103 19.858 -11.939 -20.218 1.00 32.42 C ATOM 0 H THR A 103 19.480 -12.404 -23.669 1.00 53.55 H new ATOM 0 HA THR A 103 17.487 -11.638 -21.678 1.00 71.33 H new ATOM 0 HB THR A 103 18.947 -10.044 -20.595 1.00 23.32 H new ATOM 0 HG1 THR A 103 21.213 -9.971 -21.190 1.00 10.54 H new ATOM 0 HG21 THR A 103 20.578 -11.540 -19.503 1.00 32.42 H new ATOM 0 HG22 THR A 103 18.988 -12.319 -19.683 1.00 32.42 H new ATOM 0 HG23 THR A 103 20.319 -12.749 -20.783 1.00 32.42 H new ATOM 1566 N HIS A 104 17.385 -9.245 -22.775 1.00 44.42 N ATOM 1567 CA HIS A 104 17.034 -8.130 -23.647 1.00 54.42 C ATOM 1568 C HIS A 104 17.369 -6.796 -22.986 1.00 63.12 C ATOM 1569 O HIS A 104 17.756 -6.751 -21.818 1.00 10.51 O ATOM 1570 CB HIS A 104 15.546 -8.178 -23.998 1.00 21.25 C ATOM 1571 CG HIS A 104 15.254 -8.911 -25.271 1.00 3.41 C ATOM 1572 ND1 HIS A 104 15.950 -8.692 -26.441 1.00 54.44 N ATOM 1573 CD2 HIS A 104 14.337 -9.865 -25.553 1.00 71.00 C ATOM 1574 CE1 HIS A 104 15.471 -9.478 -27.389 1.00 24.32 C ATOM 1575 NE2 HIS A 104 14.492 -10.201 -26.875 1.00 41.14 N ATOM 0 H HIS A 104 17.032 -9.163 -21.822 1.00 44.42 H new ATOM 0 HA HIS A 104 17.619 -8.219 -24.562 1.00 54.42 H new ATOM 0 HB2 HIS A 104 15.004 -8.655 -23.181 1.00 21.25 H new ATOM 0 HB3 HIS A 104 15.167 -7.159 -24.080 1.00 21.25 H new ATOM 0 HD1 HIS A 104 16.715 -8.027 -26.557 1.00 54.44 H new ATOM 0 HD2 HIS A 104 13.617 -10.284 -24.866 1.00 71.00 H new ATOM 0 HE1 HIS A 104 15.820 -9.522 -28.410 1.00 24.32 H new ATOM 1583 N HIS A 105 17.220 -5.712 -23.741 1.00 72.44 N ATOM 1584 CA HIS A 105 17.507 -4.378 -23.228 1.00 50.54 C ATOM 1585 C HIS A 105 16.243 -3.523 -23.200 1.00 22.13 C ATOM 1586 O HIS A 105 15.948 -2.802 -24.153 1.00 62.41 O ATOM 1587 CB HIS A 105 18.576 -3.698 -24.084 1.00 64.44 C ATOM 1588 CG HIS A 105 18.306 -3.779 -25.555 1.00 44.44 C ATOM 1589 ND1 HIS A 105 17.818 -2.719 -26.290 1.00 11.32 N ATOM 1590 CD2 HIS A 105 18.461 -4.800 -26.429 1.00 60.54 C ATOM 1591 CE1 HIS A 105 17.682 -3.086 -27.552 1.00 0.45 C ATOM 1592 NE2 HIS A 105 18.066 -4.344 -27.663 1.00 60.50 N ATOM 0 H HIS A 105 16.902 -5.732 -24.710 1.00 72.44 H new ATOM 0 HA HIS A 105 17.879 -4.480 -22.209 1.00 50.54 H new ATOM 0 HB2 HIS A 105 18.650 -2.650 -23.794 1.00 64.44 H new ATOM 0 HB3 HIS A 105 19.543 -4.156 -23.875 1.00 64.44 H new ATOM 0 HD2 HIS A 105 18.827 -5.790 -26.199 1.00 60.54 H new ATOM 0 HE1 HIS A 105 17.319 -2.463 -28.356 1.00 0.45 H new ATOM 0 HE2 HIS A 105 18.069 -4.889 -28.525 1.00 60.50 H new ATOM 1600 N TRP A 106 15.502 -3.610 -22.102 1.00 15.35 N ATOM 1601 CA TRP A 106 14.270 -2.843 -21.949 1.00 31.51 C ATOM 1602 C TRP A 106 14.516 -1.572 -21.144 1.00 31.32 C ATOM 1603 O TRP A 106 14.711 -1.623 -19.929 1.00 31.21 O ATOM 1604 CB TRP A 106 13.197 -3.694 -21.267 1.00 70.12 C ATOM 1605 CG TRP A 106 11.908 -2.961 -21.049 1.00 20.24 C ATOM 1606 CD1 TRP A 106 11.307 -2.700 -19.850 1.00 41.54 C ATOM 1607 CD2 TRP A 106 11.061 -2.398 -22.056 1.00 40.20 C ATOM 1608 NE1 TRP A 106 10.137 -2.007 -20.052 1.00 64.34 N ATOM 1609 CE2 TRP A 106 9.964 -1.809 -21.397 1.00 3.03 C ATOM 1610 CE3 TRP A 106 11.123 -2.331 -23.450 1.00 62.45 C ATOM 1611 CZ2 TRP A 106 8.940 -1.165 -22.086 1.00 2.22 C ATOM 1612 CZ3 TRP A 106 10.106 -1.692 -24.133 1.00 31.11 C ATOM 1613 CH2 TRP A 106 9.027 -1.115 -23.451 1.00 14.15 C ATOM 0 H TRP A 106 15.732 -4.203 -21.305 1.00 15.35 H new ATOM 0 HA TRP A 106 13.922 -2.559 -22.942 1.00 31.51 H new ATOM 0 HB2 TRP A 106 13.005 -4.579 -21.874 1.00 70.12 H new ATOM 0 HB3 TRP A 106 13.576 -4.042 -20.306 1.00 70.12 H new ATOM 0 HD1 TRP A 106 11.694 -2.995 -18.886 1.00 41.54 H new ATOM 0 HE1 TRP A 106 9.501 -1.691 -19.320 1.00 64.34 H new ATOM 0 HE3 TRP A 106 11.952 -2.771 -23.985 1.00 62.45 H new ATOM 0 HZ2 TRP A 106 8.107 -0.721 -21.562 1.00 2.22 H new ATOM 0 HZ3 TRP A 106 10.144 -1.636 -25.211 1.00 31.11 H new ATOM 0 HH2 TRP A 106 8.248 -0.621 -24.013 1.00 14.15 H new ATOM 1624 N HIS A 107 14.505 -0.432 -21.828 1.00 23.45 N ATOM 1625 CA HIS A 107 14.726 0.853 -21.174 1.00 51.03 C ATOM 1626 C HIS A 107 13.579 1.815 -21.467 1.00 54.20 C ATOM 1627 O HIS A 107 13.013 1.807 -22.560 1.00 55.03 O ATOM 1628 CB HIS A 107 16.049 1.463 -21.637 1.00 3.44 C ATOM 1629 CG HIS A 107 16.120 1.689 -23.115 1.00 45.54 C ATOM 1630 ND1 HIS A 107 15.801 2.892 -23.709 1.00 54.21 N ATOM 1631 CD2 HIS A 107 16.479 0.859 -24.122 1.00 24.52 C ATOM 1632 CE1 HIS A 107 15.958 2.791 -25.017 1.00 30.22 C ATOM 1633 NE2 HIS A 107 16.370 1.567 -25.293 1.00 73.43 N ATOM 0 H HIS A 107 14.346 -0.372 -22.834 1.00 23.45 H new ATOM 0 HA HIS A 107 14.769 0.683 -20.098 1.00 51.03 H new ATOM 0 HB2 HIS A 107 16.200 2.413 -21.125 1.00 3.44 H new ATOM 0 HB3 HIS A 107 16.866 0.806 -21.339 1.00 3.44 H new ATOM 0 HD2 HIS A 107 16.793 -0.170 -24.023 1.00 24.52 H new ATOM 0 HE1 HIS A 107 15.780 3.576 -25.738 1.00 30.22 H new ATOM 0 HE2 HIS A 107 16.574 1.206 -26.225 1.00 73.43 H new ATOM 1641 N ARG A 108 13.240 2.642 -20.483 1.00 45.11 N ATOM 1642 CA ARG A 108 12.160 3.609 -20.635 1.00 44.52 C ATOM 1643 C ARG A 108 12.645 5.021 -20.316 1.00 65.42 C ATOM 1644 O ARG A 108 13.267 5.255 -19.280 1.00 33.34 O ATOM 1645 CB ARG A 108 10.987 3.244 -19.724 1.00 24.30 C ATOM 1646 CG ARG A 108 9.678 3.904 -20.123 1.00 34.33 C ATOM 1647 CD ARG A 108 9.086 3.260 -21.367 1.00 15.22 C ATOM 1648 NE ARG A 108 8.227 4.183 -22.105 1.00 3.12 N ATOM 1649 CZ ARG A 108 7.672 3.893 -23.276 1.00 42.12 C ATOM 1650 NH1 ARG A 108 7.884 2.712 -23.840 1.00 30.34 N ATOM 1651 NH2 ARG A 108 6.903 4.786 -23.886 1.00 70.34 N ATOM 0 H ARG A 108 13.698 2.661 -19.572 1.00 45.11 H new ATOM 0 HA ARG A 108 11.827 3.583 -21.673 1.00 44.52 H new ATOM 0 HB2 ARG A 108 10.855 2.162 -19.731 1.00 24.30 H new ATOM 0 HB3 ARG A 108 11.231 3.529 -18.700 1.00 24.30 H new ATOM 0 HG2 ARG A 108 8.967 3.831 -19.300 1.00 34.33 H new ATOM 0 HG3 ARG A 108 9.845 4.965 -20.306 1.00 34.33 H new ATOM 0 HD2 ARG A 108 9.892 2.917 -22.016 1.00 15.22 H new ATOM 0 HD3 ARG A 108 8.511 2.380 -21.081 1.00 15.22 H new ATOM 0 HE ARG A 108 8.044 5.100 -21.699 1.00 3.12 H new ATOM 0 HH11 ARG A 108 8.475 2.023 -23.374 1.00 30.34 H new ATOM 0 HH12 ARG A 108 7.456 2.492 -24.740 1.00 30.34 H new ATOM 0 HH21 ARG A 108 6.738 5.696 -23.455 1.00 70.34 H new ATOM 0 HH22 ARG A 108 6.477 4.563 -24.785 1.00 70.34 H new